 Entering Gaussian System, Link 0=g16
 Input=30_ibuprofen_conformer11_STD_LCPBE_augccpVDZ.in
 Output=30_ibuprofen_conformer11_STD_LCPBE_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/Tuned_LCPBE/30_ibuprofen/done/Gau-22721.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/Tuned_LCPBE/30_ibuprofen/done/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     22730.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                27-Sep-2021 
 ******************************************
 %NoSave
 %NProc=8
 Will use up to    8 processors via shared memory.
 %Mem=48GB
 %chk=30_ibuprofen_conformer11_STD_LCPBE_augccpVDZ
 ----------------------------------------------------------------------
 #P LC-PBEPBE/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=200,Tight) 
 Polar=ROA Guess=Read Geom=Check CPHF=RdFreq IOp(1/33=1,3/107=023000000
 0,3/108=0230000000,3/119=1000000000,3/120=1000000000,3/130=-1,3/131=-1
 )
 ----------------------------------------------------------------------
 1/29=2,33=1,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=1001009,75=-5,107=230000000,108=230000000,116=-2,119=1000000000,120=1000000000,130=-1,131=-1/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=200,32=2,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Mon Sep 27 18:45:05 2021, MaxMem=  6442450944 cpu:               1.4 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 ONIOM results not found on unit 2.
 -----------------
 ROA calculations.
 -----------------
 TstMul:  ICh=     0
 TstMul:  Mul=     1
 TstMul:  ICh=     0
 TstMul:  Mul=     1
 Structure from the checkpoint file:  "30_ibuprofen_conformer11_STD_LCPBE_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 0.999465000000     -1.196404000000      0.969136000000
  C                                                 1.596854000000     -0.854615000000     -0.242805000000
  C                                                -0.373383000000     -1.089601000000      1.148990000000
  C                                                -1.197567000000     -0.646006000000      0.118540000000
  C                                                -0.607540000000     -0.309456000000     -1.099214000000
  C                                                 0.764497000000     -0.415297000000     -1.273478000000
  C                                                 3.089352000000     -0.933039000000     -0.426740000000
  C                                                 3.863458000000      0.355956000000     -0.060011000000
  C                                                 3.724742000000      0.714773000000      1.418841000000
  C                                                 3.474654000000      1.538350000000     -0.946480000000
  C                                                -2.698290000000     -0.547550000000      0.336035000000
  C                                                -3.112492000000      0.912406000000      0.380989000000
  O                                                -3.301927000000      1.545130000000      1.386242000000
  O                                                -3.236904000000      1.461286000000     -0.851756000000
  H                                                 1.615792000000     -1.553364000000      1.784982000000
  H                                                -0.810943000000     -1.358118000000      2.102796000000
  H                                                -1.221792000000      0.044896000000     -1.915977000000
  H                                                 1.198598000000     -0.153574000000     -2.230639000000
  H                                                 3.310060000000     -1.178961000000     -1.468652000000
  H                                                 3.483227000000     -1.751920000000      0.180680000000
  H                                                 4.918355000000      0.129746000000     -0.250425000000
  H                                                 2.693477000000      0.972860000000      1.666766000000
  H                                                 4.350853000000      1.574253000000      1.666193000000
  H                                                 4.026509000000     -0.115358000000      2.061505000000
  H                                                 3.596304000000      1.300958000000     -2.005766000000
  H                                                 4.098076000000      2.406584000000     -0.724159000000
  H                                                 2.434212000000      1.826365000000     -0.784696000000
  H                                                -2.911214000000     -0.920205000000      1.337383000000
  C                                                -3.505151000000     -1.357997000000     -0.684885000000
  H                                                -3.465219000000      2.394674000000     -0.720115000000
  H                                                -3.324283000000     -1.011646000000     -1.700587000000
  H                                                -4.575148000000     -1.279853000000     -0.485627000000
  H                                                -3.217816000000     -2.407791000000     -0.623061000000
 Recover connectivity data from disk.
 After GenITR:
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     33 NQM=       33 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          12          12          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          12          16          16           1           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  15.9949146  15.9949146   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           1           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   5.6000000   5.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   8.0000000   8.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=           1           1           1           1           1           1           1           1          12           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250  12.0000000   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           0           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   3.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   6.0000000   1.0000000

  Atom        31          32          33
 IAtWgt=           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000
 No MM parameters found.
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Mon Sep 27 18:45:05 2021, MaxMem=  6442450944 cpu:               0.9 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.999465   -1.196404    0.969136
      2          6           0        1.596854   -0.854615   -0.242805
      3          6           0       -0.373383   -1.089601    1.148990
      4          6           0       -1.197567   -0.646006    0.118540
      5          6           0       -0.607540   -0.309456   -1.099214
      6          6           0        0.764497   -0.415297   -1.273478
      7          6           0        3.089352   -0.933039   -0.426740
      8          6           0        3.863458    0.355956   -0.060011
      9          6           0        3.724742    0.714773    1.418841
     10          6           0        3.474654    1.538350   -0.946480
     11          6           0       -2.698290   -0.547550    0.336035
     12          6           0       -3.112492    0.912406    0.380989
     13          8           0       -3.301927    1.545130    1.386242
     14          8           0       -3.236904    1.461286   -0.851756
     15          1           0        1.615792   -1.553364    1.784982
     16          1           0       -0.810943   -1.358118    2.102796
     17          1           0       -1.221792    0.044896   -1.915977
     18          1           0        1.198598   -0.153574   -2.230639
     19          1           0        3.310060   -1.178961   -1.468652
     20          1           0        3.483227   -1.751920    0.180680
     21          1           0        4.918355    0.129746   -0.250425
     22          1           0        2.693477    0.972860    1.666766
     23          1           0        4.350853    1.574253    1.666193
     24          1           0        4.026509   -0.115358    2.061505
     25          1           0        3.596304    1.300958   -2.005766
     26          1           0        4.098076    2.406584   -0.724159
     27          1           0        2.434212    1.826365   -0.784696
     28          1           0       -2.911214   -0.920205    1.337383
     29          6           0       -3.505151   -1.357997   -0.684885
     30          1           0       -3.465219    2.394674   -0.720115
     31          1           0       -3.324283   -1.011646   -1.700587
     32          1           0       -4.575148   -1.279853   -0.485627
     33          1           0       -3.217816   -2.407791   -0.623061
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.393734   0.000000
     3  C    1.388692   2.423664   0.000000
     4  C    2.419380   2.825398   1.392079   0.000000
     5  C    2.765360   2.426930   2.391208   1.394390   0.000000
     6  C    2.386348   1.395745   2.760038   2.416741   1.387103
     7  C    2.526946   1.505833   3.807620   4.330981   3.808948
     8  C    3.416346   2.576119   4.637040   5.162343   4.638161
     9  C    3.358864   3.122812   4.485891   5.269879   5.114520
    10  C    4.156323   3.122110   5.109257   5.266434   4.483528
    11  C    3.807259   4.344837   2.521886   1.519594   2.547129
    12  C    4.658453   5.068473   3.478588   2.482834   3.155746
    13  O    5.117808   5.693033   3.946450   3.291880   4.108126
    14  O    5.322197   5.394389   4.325478   3.088859   3.179673
    15  H    1.082998   2.144884   2.139247   3.393423   3.848259
    16  H    2.142175   3.398948   1.083193   2.143328   3.375490
    17  H    3.846906   3.399028   3.376522   2.148765   1.081653
    18  H    3.371307   2.145122   3.843067   3.391569   2.136950
    19  H    3.358863   2.131426   4.519711   4.808526   4.029902
    20  H    2.664458   2.131408   4.031096   4.810066   4.522522
    21  H    4.313201   3.464303   5.607821   6.175956   5.607928
    22  H    2.839379   2.861592   3.731952   4.489761   4.493517
    23  H    4.403888   4.138621   5.448121   6.173309   5.981764
    24  H    3.394838   3.429223   4.597922   5.598899   5.612685
    25  H    4.672305   3.428167   5.605861   5.593259   4.592121
    26  H    5.044815   4.138023   5.977118   6.170274   5.446133
    27  H    3.777772   2.860501   4.486044   4.485340   3.730001
    28  H    3.937677   4.777444   2.550446   2.120695   3.408362
    29  C    4.801402   5.145802   3.639108   2.545067   3.109221
    30  H    5.973509   6.034094   5.019280   3.884755   3.952514
    31  H    5.084914   5.134917   4.102923   2.822381   2.869741
    32  H    5.761910   6.191397   4.512538   3.489245   4.130384
    33  H    4.667763   5.073263   3.601193   2.781234   3.382791
                    6          7          8          9         10
     6  C    0.000000
     7  C    2.527840   0.000000
     8  C    3.416269   1.547656   0.000000
     9  C    4.157967   2.554442   1.528069   0.000000
    10  C    3.356876   2.554672   1.528088   2.517055   0.000000
    11  C    3.820853   5.850404   6.635489   6.634853   6.640863
    12  C    4.419400   6.520810   7.011989   6.918379   6.748664
    13  O    5.239579   7.090605   7.405979   7.075637   7.166846
    14  O    4.439665   6.777532   7.229368   7.360530   6.712669
    15  H    3.372548   2.729083   3.478722   3.118682   4.524925
    16  H    3.843195   4.668142   5.428242   5.033598   6.004494
    17  H    2.137739   4.664777   5.422281   6.003161   5.022642
    18  H    1.083097   2.727007   3.474583   4.522625   3.113214
    19  H    2.664801   1.093055   2.155572   3.477902   2.771919
    20  H    3.360451   1.093006   2.155377   2.770550   3.477994
    21  H    4.312568   2.122699   1.095553   2.133874   2.133760
    22  H    3.780606   2.858660   2.175129   1.091597   2.785511
    23  H    5.045981   3.501181   2.168313   1.091743   2.755916
    24  H    4.674698   2.781767   2.179347   1.092336   3.476675
    25  H    3.391299   2.782277   2.179533   3.476786   1.092355
    26  H    4.401990   3.501295   2.168228   2.755731   1.091747
    27  H    2.837588   2.858610   2.174860   2.785082   1.091626
    28  H    4.536781   6.254525   7.034023   6.834888   7.213864
    29  C    4.411918   6.613221   7.591080   7.809827   7.561411
    30  H    5.108096   7.356775   7.635549   7.687180   6.996168
    31  H    4.154055   6.539387   7.498363   7.899374   7.300459
    32  H    5.466258   7.672569   8.606224   8.746068   8.541309
    33  H    4.500210   6.480263   7.622320   7.881553   7.775975
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.518241   0.000000
    13  O    2.417979   1.202813   0.000000
    14  O    2.395073   1.355141   2.240512   0.000000
    15  H    4.660731   5.514335   5.826115   6.291992   0.000000
    16  H    2.709344   3.662926   3.891953   4.750127   2.455233
    17  H    2.757281   3.098931   4.181186   2.683170   4.929849
    18  H    4.682816   5.151933   6.018484   4.917598   4.273017
    19  H    6.305224   7.003154   7.699965   7.086198   3.687391
    20  H    6.299666   7.116338   7.639518   7.520025   2.469924
    21  H    7.669156   8.093562   8.500296   8.285098   4.228790
    22  H    5.757920   5.946945   6.029184   6.461496   2.749034
    23  H    7.480761   7.602060   7.657954   7.995429   4.156520
    24  H    6.956073   7.405793   7.544480   7.983111   2.820617
    25  H    6.965840   7.131305   7.690964   6.931823   5.141921
    26  H    7.486088   7.446221   7.743122   7.396743   5.304593
    27  H    5.764901   5.741086   6.139654   5.683251   4.323844
    28  H    1.089452   2.076937   2.496582   3.251139   4.592931
    29  C    1.533012   2.538700   3.571976   2.836928   5.688802
    30  H    3.218744   1.879884   2.277088   0.969882   6.905012
    31  H    2.180615   2.842497   4.008256   2.616016   6.070172
    32  H    2.175774   2.774236   3.620154   3.072261   6.599865
    33  H    2.156448   3.470291   4.435083   3.875877   5.467402
                   16         17         18         19         20
    16  H    0.000000
    17  H    4.276422   0.000000
    18  H    4.926240   2.448814   0.000000
    19  H    5.456189   4.715465   2.467856   0.000000
    20  H    4.721176   5.455431   3.686285   1.754584   0.000000
    21  H    6.369949   6.362599   4.223519   2.404871   2.405434
    22  H    4.231376   5.387624   4.323573   3.852448   3.202590
    23  H    5.952609   6.798915   5.301641   4.300080   3.744723
    24  H    4.994707   6.587162   5.140140   3.755870   2.551665
    25  H    6.585954   4.979940   2.813401   2.553512   3.756780
    26  H    6.801700   5.941296   4.151008   3.745847   4.299992
    27  H    5.386054   4.221350   2.745478   3.204199   3.851819
    28  H    2.277886   3.790767   5.496277   6.829717   6.551228
    29  C    3.876844   2.949140   5.095610   6.862466   7.052787
    30  H    5.394206   3.461865   5.525074   7.696465   8.141657
    31  H    4.571941   2.362867   4.633972   6.640504   7.101363
    32  H    4.568949   3.878899   6.135936   7.946888   8.099643
    33  H    3.784858   3.416346   5.212534   6.696134   6.780866
                   21         22         23         24         25
    21  H    0.000000
    22  H    3.055576   0.000000
    23  H    2.466188   1.763113   0.000000
    24  H    2.490077   1.765506   1.765292   0.000000
    25  H    2.490136   3.796082   3.758632   4.328247   0.000000
    26  H    2.466024   3.121696   2.543709   3.758356   1.765418
    27  H    3.055311   2.608708   3.121527   3.795597   1.765651
    28  H    8.057647   5.924926   7.685574   7.021690   7.645783
    29  C    8.564904   7.027528   8.708757   8.112503   7.697105
    30  H    8.696828   6.756352   8.213315   8.376375   7.260456
    31  H    8.446705   7.175707   8.770963   8.306071   7.303136
    32  H    9.600463   7.908250   9.615079   9.046128   8.703105
    33  H    8.530840   7.184392   8.853367   8.058684   7.880287
                   26         27         28         29         30
    26  H    0.000000
    27  H    1.763168   0.000000
    28  H    8.027928   6.373417   0.000000
    29  C    8.484260   6.739893   2.152671   0.000000
    30  H    7.563305   5.927093   3.940640   3.753049   0.000000
    31  H    8.229770   6.484861   3.067287   1.088266   3.547422
    32  H    9.427170   7.672624   2.494271   1.091194   3.845657
    33  H    8.758465   7.063967   2.479971   1.090161   4.809813
                   31         32         33
    31  H    0.000000
    32  H    1.764292   0.000000
    33  H    1.766810   1.770165   0.000000
 Stoichiometry    C13H18O2
 Framework group  C1[X(C13H18O2)]
 Deg. of freedom    93
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 7.74D-18
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.999465   -1.196404    0.969136
      2          6           0        1.596854   -0.854615   -0.242805
      3          6           0       -0.373383   -1.089601    1.148990
      4          6           0       -1.197567   -0.646006    0.118540
      5          6           0       -0.607540   -0.309456   -1.099214
      6          6           0        0.764497   -0.415297   -1.273478
      7          6           0        3.089352   -0.933039   -0.426740
      8          6           0        3.863458    0.355956   -0.060011
      9          6           0        3.724742    0.714773    1.418841
     10          6           0        3.474654    1.538350   -0.946480
     11          6           0       -2.698290   -0.547550    0.336035
     12          6           0       -3.112492    0.912406    0.380989
     13          8           0       -3.301927    1.545130    1.386242
     14          8           0       -3.236904    1.461286   -0.851756
     15          1           0        1.615792   -1.553364    1.784982
     16          1           0       -0.810943   -1.358118    2.102796
     17          1           0       -1.221792    0.044896   -1.915977
     18          1           0        1.198598   -0.153574   -2.230639
     19          1           0        3.310060   -1.178961   -1.468652
     20          1           0        3.483227   -1.751920    0.180680
     21          1           0        4.918355    0.129746   -0.250425
     22          1           0        2.693477    0.972860    1.666766
     23          1           0        4.350853    1.574253    1.666193
     24          1           0        4.026509   -0.115358    2.061505
     25          1           0        3.596304    1.300958   -2.005766
     26          1           0        4.098076    2.406584   -0.724159
     27          1           0        2.434212    1.826365   -0.784696
     28          1           0       -2.911214   -0.920205    1.337383
     29          6           0       -3.505151   -1.357997   -0.684885
     30          1           0       -3.465219    2.394674   -0.720115
     31          1           0       -3.324283   -1.011646   -1.700587
     32          1           0       -4.575148   -1.279853   -0.485627
     33          1           0       -3.217816   -2.407791   -0.623061
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.1743027           0.2878852           0.2796173
 Leave Link  202 at Mon Sep 27 18:45:06 2021, MaxMem=  6442450944 cpu:               0.1 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      15     16     17     18     19     20     21     22     23     24
 Centers:      25     26     27     28     30     31     32     33
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      8      9     10
 Centers:      11     12     29
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:      13     14
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  45 primitive shells out of 564 were deleted.
 There are   537 symmetry adapted cartesian basis functions of A   symmetry.
 There are   507 symmetry adapted basis functions of A   symmetry.
   507 basis functions,   921 primitive gaussians,   537 cartesian basis functions
    56 alpha electrons       56 beta electrons
       nuclear repulsion energy       983.9721115949 Hartrees.
 IExCor=11009 DFT=T Ex=LC-PBE+HF Corr=PBE ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.230000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 DFx  wShort=  0.000000 wLong=  0.230000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   33 NActive=   33 NUniq=   33 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Mon Sep 27 18:45:07 2021, MaxMem=  6442450944 cpu:               9.6 elap:               1.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   507 RedAO= T EigKep=  1.00D-06  NBF=   507
 NBsUse=   507 1.00D-06 EigRej= -1.00D+00 NBFU=   507
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   537   537   537   537   537 MxSgAt=    33 MxSgA2=    33.
 Leave Link  302 at Mon Sep 27 18:45:08 2021, MaxMem=  6442450944 cpu:               5.1 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Mon Sep 27 18:45:08 2021, MaxMem=  6442450944 cpu:               0.8 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "30_ibuprofen_conformer11_STD_LCPBE_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Mon Sep 27 18:45:09 2021, MaxMem=  6442450944 cpu:               5.8 elap:               0.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  6442450944 LenX=  6441864761 LenY=  6441575855
 Requested convergence on RMS density matrix=1.00D-08 within 200 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -654.809009478349    
 DIIS: error= 3.80D-05 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -654.809009478349     IErMin= 1 ErrMin= 3.80D-05
 ErrMax= 3.80D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.08D-06 BMatP= 3.08D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.100D+01
 Coeff:      0.100D+01
 Gap=     0.341 Goal=   None    Shift=    0.000
 RMSDP=5.19D-04 MaxDP=6.28D-02              OVMax= 3.96D-04

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.52D-04    CP:  9.97D-01
 E= -654.809014803519     Delta-E=       -0.000005325170 Rises=F Damp=F
 DIIS: error= 1.21D-05 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -654.809014803519     IErMin= 2 ErrMin= 1.21D-05
 ErrMax= 1.21D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.56D-07 BMatP= 3.08D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.893D-01 0.109D+01
 Coeff:     -0.893D-01 0.109D+01
 Gap=     0.341 Goal=   None    Shift=    0.000
 RMSDP=3.01D-05 MaxDP=2.91D-03 DE=-5.33D-06 OVMax= 1.28D-04

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.40D-05    CP:  9.97D-01  1.08D+00
 E= -654.809015005845     Delta-E=       -0.000000202326 Rises=F Damp=F
 DIIS: error= 8.85D-06 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -654.809015005845     IErMin= 3 ErrMin= 8.85D-06
 ErrMax= 8.85D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.22D-07 BMatP= 1.56D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.733D-01 0.547D+00 0.527D+00
 Coeff:     -0.733D-01 0.547D+00 0.527D+00
 Gap=     0.341 Goal=   None    Shift=    0.000
 RMSDP=4.22D-06 MaxDP=3.24D-04 DE=-2.02D-07 OVMax= 6.31D-05

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  3.47D-06    CP:  9.97D-01  1.08D+00  9.56D-01
 E= -654.809015100833     Delta-E=       -0.000000094988 Rises=F Damp=F
 DIIS: error= 2.53D-06 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -654.809015100833     IErMin= 4 ErrMin= 2.53D-06
 ErrMax= 2.53D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.01D-08 BMatP= 1.22D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.252D-01 0.109D+00 0.238D+00 0.678D+00
 Coeff:     -0.252D-01 0.109D+00 0.238D+00 0.678D+00
 Gap=     0.341 Goal=   None    Shift=    0.000
 RMSDP=1.50D-06 MaxDP=1.04D-04 DE=-9.50D-08 OVMax= 3.60D-05

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.20D-06    CP:  9.97D-01  1.08D+00  9.91D-01  1.11D+00
 E= -654.809015108402     Delta-E=       -0.000000007569 Rises=F Damp=F
 DIIS: error= 1.33D-06 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -654.809015108402     IErMin= 5 ErrMin= 1.33D-06
 ErrMax= 1.33D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.24D-09 BMatP= 1.01D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.185D-02-0.321D-01 0.444D-01 0.377D+00 0.612D+00
 Coeff:     -0.185D-02-0.321D-01 0.444D-01 0.377D+00 0.612D+00
 Gap=     0.341 Goal=   None    Shift=    0.000
 RMSDP=8.10D-07 MaxDP=4.18D-05 DE=-7.57D-09 OVMax= 1.56D-05

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  6.76D-07    CP:  9.97D-01  1.08D+00  1.01D+00  1.14D+00  1.05D+00
 E= -654.809015110154     Delta-E=       -0.000000001752 Rises=F Damp=F
 DIIS: error= 4.33D-07 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -654.809015110154     IErMin= 6 ErrMin= 4.33D-07
 ErrMax= 4.33D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.57D-10 BMatP= 2.24D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.173D-02-0.243D-01-0.291D-02 0.107D+00 0.269D+00 0.650D+00
 Coeff:      0.173D-02-0.243D-01-0.291D-02 0.107D+00 0.269D+00 0.650D+00
 Gap=     0.341 Goal=   None    Shift=    0.000
 RMSDP=1.85D-07 MaxDP=7.98D-06 DE=-1.75D-09 OVMax= 4.48D-06

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.47D-07    CP:  9.97D-01  1.08D+00  1.02D+00  1.15D+00  1.07D+00
                    CP:  1.09D+00
 E= -654.809015110387     Delta-E=       -0.000000000234 Rises=F Damp=F
 DIIS: error= 1.65D-07 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -654.809015110387     IErMin= 7 ErrMin= 1.65D-07
 ErrMax= 1.65D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.31D-11 BMatP= 1.57D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.933D-03-0.392D-02-0.928D-02-0.213D-01-0.626D-02 0.272D+00
 Coeff-Com:  0.768D+00
 Coeff:      0.933D-03-0.392D-02-0.928D-02-0.213D-01-0.626D-02 0.272D+00
 Coeff:      0.768D+00
 Gap=     0.341 Goal=   None    Shift=    0.000
 RMSDP=1.15D-07 MaxDP=6.73D-06 DE=-2.34D-10 OVMax= 2.12D-06

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  8.29D-08    CP:  9.97D-01  1.08D+00  1.02D+00  1.16D+00  1.08D+00
                    CP:  1.10D+00  1.33D+00
 E= -654.809015110350     Delta-E=        0.000000000038 Rises=F Damp=F
 DIIS: error= 2.14D-08 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 7 EnMin= -654.809015110387     IErMin= 8 ErrMin= 2.14D-08
 ErrMax= 2.14D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.18D-12 BMatP= 2.31D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.487D-04 0.163D-02-0.227D-02-0.159D-01-0.324D-01 0.530D-02
 Coeff-Com:  0.186D+00 0.857D+00
 Coeff:      0.487D-04 0.163D-02-0.227D-02-0.159D-01-0.324D-01 0.530D-02
 Coeff:      0.186D+00 0.857D+00
 Gap=     0.341 Goal=   None    Shift=    0.000
 RMSDP=3.64D-08 MaxDP=2.40D-06 DE= 3.77D-11 OVMax= 7.99D-07

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  2.66D-08    CP:  9.97D-01  1.08D+00  1.02D+00  1.16D+00  1.07D+00
                    CP:  1.13D+00  1.37D+00  1.03D+00
 E= -654.809015110368     Delta-E=       -0.000000000018 Rises=F Damp=F
 DIIS: error= 9.82D-09 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 7 EnMin= -654.809015110387     IErMin= 9 ErrMin= 9.82D-09
 ErrMax= 9.82D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.65D-13 BMatP= 1.18D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.509D-04 0.104D-02-0.293D-03-0.514D-02-0.140D-01-0.193D-01
 Coeff-Com:  0.153D-01 0.388D+00 0.634D+00
 Coeff:     -0.509D-04 0.104D-02-0.293D-03-0.514D-02-0.140D-01-0.193D-01
 Coeff:      0.153D-01 0.388D+00 0.634D+00
 Gap=     0.341 Goal=   None    Shift=    0.000
 RMSDP=1.50D-08 MaxDP=1.23D-06 DE=-1.80D-11 OVMax= 2.18D-07

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.28D-08    CP:  9.97D-01  1.08D+00  1.02D+00  1.16D+00  1.08D+00
                    CP:  1.13D+00  1.38D+00  1.04D+00  9.58D-01
 E= -654.809015110440     Delta-E=       -0.000000000073 Rises=F Damp=F
 DIIS: error= 3.21D-09 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -654.809015110440     IErMin=10 ErrMin= 3.21D-09
 ErrMax= 3.21D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.29D-14 BMatP= 2.65D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.263D-04 0.113D-03 0.214D-03 0.684D-03 0.124D-04-0.727D-02
 Coeff-Com: -0.248D-01 0.292D-02 0.211D+00 0.817D+00
 Coeff:     -0.263D-04 0.113D-03 0.214D-03 0.684D-03 0.124D-04-0.727D-02
 Coeff:     -0.248D-01 0.292D-02 0.211D+00 0.817D+00
 Gap=     0.341 Goal=   None    Shift=    0.000
 RMSDP=5.33D-09 MaxDP=2.65D-07 DE=-7.25D-11 OVMax= 9.66D-08

 SCF Done:  E(RLC-PBE+HF-PBE) =  -654.809015110     A.U. after   10 cycles
            NFock= 10  Conv=0.53D-08     -V/T= 2.0047
 KE= 6.517181124324D+02 PE=-3.493824481712D+03 EE= 1.203325242575D+03
 Leave Link  502 at Mon Sep 27 18:52:35 2021, MaxMem=  6442450944 cpu:            3560.9 elap:             446.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   507
 NBasis=   507 NAE=    56 NBE=    56 NFC=     0 NFV=     0
 NROrb=    507 NOA=    56 NOB=    56 NVA=   451 NVB=   451

 **** Warning!!: The largest alpha MO coefficient is  0.10637954D+03

 Leave Link  801 at Mon Sep 27 18:52:36 2021, MaxMem=  6442450944 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
        10227 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    6442450944 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          33
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 4.21D-13 8.33D-09 XBig12= 1.00D+00 3.02D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 4.21D-13 8.33D-09 XBig12= 2.70D-01 6.43D-02.
     11 vectors produced by pass  2 Test12= 4.21D-13 8.33D-09 XBig12= 6.21D-02 7.36D-02.
     11 vectors produced by pass  3 Test12= 4.21D-13 8.33D-09 XBig12= 9.20D-03 2.08D-02.
     11 vectors produced by pass  4 Test12= 4.21D-13 8.33D-09 XBig12= 1.39D-03 6.93D-03.
     11 vectors produced by pass  5 Test12= 4.21D-13 8.33D-09 XBig12= 1.70D-04 1.58D-03.
     11 vectors produced by pass  6 Test12= 4.21D-13 8.33D-09 XBig12= 1.19D-05 4.80D-04.
     11 vectors produced by pass  7 Test12= 4.21D-13 8.33D-09 XBig12= 6.26D-07 1.12D-04.
     11 vectors produced by pass  8 Test12= 4.21D-13 8.33D-09 XBig12= 2.68D-08 2.80D-05.
     11 vectors produced by pass  9 Test12= 4.21D-13 8.33D-09 XBig12= 1.12D-09 4.59D-06.
     11 vectors produced by pass 10 Test12= 4.21D-13 8.33D-09 XBig12= 4.16D-11 7.57D-07.
      8 vectors produced by pass 11 Test12= 4.21D-13 8.33D-09 XBig12= 1.72D-12 1.25D-07.
      5 vectors produced by pass 12 Test12= 4.21D-13 8.33D-09 XBig12= 1.51D-13 3.61D-08.
      2 vectors produced by pass 13 Test12= 4.21D-13 8.33D-09 XBig12= 7.90D-14 2.26D-08.
      1 vectors produced by pass 14 Test12= 4.21D-13 8.33D-09 XBig12= 1.77D-14 8.81D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.42D-13
 Solved reduced A of dimension   137 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.217446D+03
      2 -0.133994D+01  0.142029D+03
      3 -0.473295D+00 -0.693647D+01  0.160374D+03
 Isotropic polarizability for W=    0.088559      173.28 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.170153D+03  0.569747D+02 -0.366479D+01
      2  -0.939966D+02 -0.290449D+02  0.156955D+02
      3  -0.761563D+02 -0.279298D+02 -0.120307D+02
      4  -0.211399D+02  0.676609D+02 -0.257601D+02
      5  -0.775644D+01 -0.283433D+02  0.100306D+03
      6  -0.117365D+02  0.120077D+02 -0.249927D+02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.432402D+01 -0.665826D+01  0.204742D+02
      2   0.106504D+02 -0.817071D+01  0.466636D+02
      3  -0.126248D+03 -0.357634D+02  0.121407D+02
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.258321D+01 -0.368785D+01 -0.293711D+01
      2   0.409165D+01 -0.140236D+02  0.176462D+03
      3  -0.781146D+02 -0.161658D+03  0.166069D+02
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1   0.133917D+01 -0.947565D+00  0.163120D+02
      2  -0.947565D+00  0.402414D+00 -0.874453D+00
      3   0.163120D+02 -0.874453D+00 -0.209565D+01
 OR G Eigenvalues:   -16.7804     0.2967    16.1296  Iso=     0.1180
 Eigenvectors:
   (1)  -0.669037   0.000929   0.743229
   (2)   0.061345   0.996656   0.053975
   (3)   0.740693  -0.081705   0.666857
 w=    0.088559 a.u., Optical Rotation Beta=      0.1180 au.
 Molar Mass =    206.2840 grams/mole, [Alpha] ( 5145.0 A) =       29.01 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  128778 ScalPx= 6.39D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  128778 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 7.58D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 7.02D-14 2.78D-09 XBig12= 1.00D+00 2.96D-01.
     30 vectors produced by pass  1 Test12= 7.02D-14 2.78D-09 XBig12= 2.60D-02 2.65D-02.
     30 vectors produced by pass  2 Test12= 7.02D-14 2.78D-09 XBig12= 3.13D-03 7.56D-03.
     30 vectors produced by pass  3 Test12= 7.02D-14 2.78D-09 XBig12= 1.07D-04 1.23D-03.
     30 vectors produced by pass  4 Test12= 7.02D-14 2.78D-09 XBig12= 3.10D-06 1.91D-04.
     30 vectors produced by pass  5 Test12= 7.02D-14 2.78D-09 XBig12= 4.70D-08 2.71D-05.
     30 vectors produced by pass  6 Test12= 7.02D-14 2.78D-09 XBig12= 7.99D-10 2.85D-06.
     30 vectors produced by pass  7 Test12= 7.02D-14 2.78D-09 XBig12= 1.37D-11 3.83D-07.
     30 vectors produced by pass  8 Test12= 7.02D-14 2.78D-09 XBig12= 1.60D-13 3.15D-08.
     16 vectors produced by pass  9 Test12= 7.02D-14 2.78D-09 XBig12= 1.88D-14 1.10D-08.
      4 vectors produced by pass 10 Test12= 7.02D-14 2.78D-09 XBig12= 8.25D-15 6.20D-09.
      3 vectors produced by pass 11 Test12= 7.02D-14 2.78D-09 XBig12= 5.77D-15 5.03D-09.
      3 vectors produced by pass 12 Test12= 7.02D-14 2.78D-09 XBig12= 1.03D-14 7.32D-09.
      3 vectors produced by pass 13 Test12= 7.02D-14 2.78D-09 XBig12= 1.82D-14 9.68D-09.
      1 vectors produced by pass 14 Test12= 7.02D-14 2.78D-09 XBig12= 8.46D-15 5.24D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.89D-15
 Solved reduced A of dimension   300 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  128778 ScalPx= 1.39D+04
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  128778 ScalPx= 1.39D+04
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  128778 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 9.26D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.217446D+03 -0.133994D+01 -0.473295D+00
      2  -0.133994D+01  0.142029D+03 -0.693647D+01
      3  -0.473295D+00 -0.693647D+01  0.160374D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.432402D+01 -0.665826D+01  0.204742D+02
      2   0.106504D+02 -0.817071D+01  0.466636D+02
      3  -0.126248D+03 -0.357634D+02  0.121407D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.170153D+03  0.569747D+02 -0.366479D+01
      2  -0.939966D+02 -0.290449D+02  0.156955D+02
      3  -0.761563D+02 -0.279298D+02 -0.120307D+02
      4  -0.211399D+02  0.676609D+02 -0.257601D+02
      5  -0.775644D+01 -0.283433D+02  0.100306D+03
      6  -0.117365D+02  0.120077D+02 -0.249927D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.931551D+01  0.612245D+00  0.105226D+01 -0.183864D+01  0.155022D+01
      2   0.612245D+00  0.179752D+01 -0.689680D+00  0.155022D+01 -0.336268D+01
      3   0.105226D+01 -0.689680D+00  0.276109D+01  0.187520D+01  0.222193D+01
                 6             7             8             9            10 
      1   0.187520D+01  0.129566D+02  0.164049D+01 -0.946184D+00  0.319717D+02
      2   0.222193D+01  0.164049D+01 -0.684072D-01  0.141555D+01  0.174258D+01
      3   0.105168D+01 -0.946184D+00  0.141555D+01  0.957559D+00 -0.139157D+01
                11            12            13            14            15 
      1   0.174258D+01 -0.139157D+01 -0.584078D+00  0.437325D+01  0.114277D+01
      2   0.186474D+01 -0.755884D+00  0.437325D+01 -0.122054D+01 -0.103156D+00
      3  -0.755884D+00  0.304555D+01  0.114277D+01 -0.103156D+00 -0.807337D+00
                16            17            18            19            20 
      1  -0.322696D+01  0.848602D+00  0.134865D+01  0.126256D+02 -0.654718D+00
      2   0.848602D+00  0.272634D+00 -0.108461D+01 -0.654718D+00 -0.242215D+01
      3   0.134865D+01 -0.108461D+01 -0.659874D+00 -0.126101D+01  0.138794D+01
                21            22            23            24            25 
      1  -0.126101D+01 -0.406111D+01 -0.159468D+01 -0.200273D+00  0.113308D+02
      2   0.138794D+01 -0.159468D+01 -0.276190D+01  0.247910D+01 -0.192160D+01
      3  -0.165342D+01 -0.200273D+00  0.247910D+01  0.186938D+01  0.281726D+00
                26            27            28            29            30 
      1  -0.192160D+01  0.281726D+00 -0.297486D+02  0.708659D+00  0.106166D+01
      2   0.127547D+01  0.133065D+01  0.708659D+00 -0.164508D+01  0.288169D+00
      3   0.133065D+01  0.148589D+01  0.106166D+01  0.288169D+00 -0.277711D+01
                31            32            33            34            35 
      1   0.299923D+01 -0.495172D+01 -0.159973D+01  0.312180D+01 -0.142014D+01
      2  -0.495172D+01  0.787398D+00  0.413936D+00 -0.142014D+01 -0.135181D+00
      3  -0.159973D+01  0.413936D+00  0.115848D+00 -0.710050D+00 -0.873328D+00
                36            37            38            39            40 
      1  -0.710050D+00  0.897898D+01 -0.758657D+00 -0.772363D+00  0.398686D+01
      2  -0.873328D+00 -0.758657D+00 -0.100226D+01 -0.501692D+00 -0.173160D+01
      3   0.522117D+00 -0.772363D+00 -0.501692D+00 -0.294436D+01 -0.108562D+01
                41            42            43            44            45 
      1  -0.173160D+01 -0.108562D+01 -0.131478D+02  0.293395D+00  0.710005D+00
      2   0.224585D+01 -0.223097D+01  0.293395D+00 -0.927526D+00 -0.892042D+00
      3  -0.223097D+01 -0.129344D+01  0.710005D+00 -0.892042D+00 -0.132895D+01
                46            47            48            49            50 
      1  -0.113869D+02  0.692437D+00  0.759833D+00  0.558688D+01  0.217821D+01
      2   0.692437D+00  0.977622D+00  0.252490D-01  0.217821D+01  0.179255D+01
      3   0.759833D+00  0.252490D-01  0.147400D+01 -0.426868D+00 -0.292567D+01
                51            52            53            54            55 
      1  -0.426868D+00 -0.100929D+02  0.401049D+00 -0.511101D+00 -0.156424D+02
      2  -0.292567D+01  0.401049D+00 -0.138389D+01 -0.920198D+00 -0.274161D+01
      3  -0.210713D+01 -0.511101D+00 -0.920198D+00 -0.144733D+01 -0.295855D+00
                56            57            58            59            60 
      1  -0.274161D+01 -0.295855D+00 -0.680493D+01 -0.678790D+01 -0.224421D+00
      2  -0.372046D+01  0.722040D-01 -0.678790D+01  0.578464D+00 -0.193121D+01
      3   0.722040D-01 -0.171729D+01 -0.224421D+00 -0.193121D+01  0.205314D+01
                61            62            63            64            65 
      1  -0.140360D+01 -0.426035D+00 -0.324897D+01 -0.427495D+01  0.425279D+01
      2  -0.426035D+00 -0.248589D+01  0.310970D+01  0.425279D+01  0.283431D+01
      3  -0.324897D+01  0.310970D+01  0.461402D+01  0.221114D+01 -0.283619D+00
                66            67            68            69            70 
      1   0.221114D+01  0.132860D+02  0.503417D+01 -0.100696D+00  0.519856D+01
      2  -0.283619D+00  0.503417D+01  0.180419D+01  0.307776D+01  0.646809D+00
      3   0.773744D+00 -0.100696D+00  0.307776D+01 -0.272779D+01  0.239757D+00
                71            72            73            74            75 
      1   0.646809D+00  0.239757D+00  0.299066D+01 -0.338209D+01 -0.235198D+01
      2   0.314187D+01 -0.242643D+01 -0.338209D+01 -0.336892D+01 -0.454703D-01
      3  -0.242643D+01 -0.396614D+01 -0.235198D+01 -0.454703D-01 -0.142105D+01
                76            77            78            79            80 
      1  -0.515082D+01 -0.454657D+01 -0.351663D-01 -0.297320D+01  0.169168D+00
      2  -0.454657D+01 -0.139062D+01 -0.431875D+01  0.169168D+00 -0.325936D+01
      3  -0.351663D-01 -0.431875D+01  0.289521D+01 -0.493287D+00  0.247248D+01
                81            82            83            84            85 
      1  -0.493287D+00  0.339326D+01 -0.380499D+01 -0.135325D+01 -0.562687D+01
      2   0.247248D+01 -0.380499D+01 -0.356658D+01  0.233479D+00 -0.382155D+01
      3   0.181707D+01 -0.135325D+01  0.233479D+00 -0.921408D+00 -0.241197D+00
                86            87            88            89            90 
      1  -0.382155D+01 -0.241197D+00 -0.184606D+01 -0.863063D+00 -0.768660D+00
      2  -0.300513D+01 -0.223278D+01 -0.863063D+00 -0.290162D+01  0.192245D+01
      3  -0.223278D+01  0.292777D+01 -0.768660D+00  0.192245D+01  0.618649D+01
                91            92            93            94            95 
      1   0.709771D+01  0.152302D+01  0.158748D+01 -0.346250D+01  0.550106D+01
      2   0.152302D+01  0.158401D+01  0.325086D+00  0.550106D+01 -0.372653D+01
      3   0.158748D+01  0.325086D+00  0.148459D+01  0.136168D+01  0.475599D+00
                96            97            98            99           100 
      1   0.136168D+01  0.294440D+01  0.173730D+01  0.224188D+01  0.483597D+00
      2   0.475599D+00  0.173730D+01  0.536342D+00  0.245891D+01 -0.114722D+01
      3   0.210027D+01  0.224188D+01  0.245891D+01 -0.337017D+01 -0.130695D+01
               101           102           103           104           105 
      1  -0.114722D+01 -0.130695D+01  0.429843D+00 -0.934753D+00  0.115451D+01
      2   0.317023D-01  0.735157D+00 -0.934753D+00  0.292031D+01 -0.152050D+01
      3   0.735157D+00  0.563228D+00  0.115451D+01 -0.152050D+01 -0.333866D+01
               106           107           108           109           110 
      1  -0.395677D+01  0.225159D+01  0.128529D+01 -0.227935D+01  0.179579D+01
      2   0.225159D+01 -0.485022D+01 -0.333251D+01  0.179579D+01 -0.837738D+00
      3   0.128529D+01 -0.333251D+01 -0.198729D+01  0.323711D+01 -0.714558D+00
               111           112           113           114           115 
      1   0.323711D+01  0.257423D+01 -0.268806D+01 -0.166463D+01  0.613160D+01
      2  -0.714558D+00 -0.268806D+01  0.479434D+01  0.375742D+01 -0.309125D+01
      3  -0.136825D+01 -0.166463D+01  0.375742D+01  0.362816D+01 -0.318913D+01
               116           117           118           119           120 
      1  -0.309125D+01 -0.318913D+01 -0.115174D+00 -0.187680D+00 -0.155052D+01
      2   0.543876D+01  0.409319D+01 -0.187680D+00  0.179420D+01 -0.201038D+00
      3   0.409319D+01  0.889781D+01 -0.155052D+01 -0.201038D+00 -0.151280D+00
               121           122           123           124           125 
      1  -0.131593D+01  0.307068D+01 -0.480013D+00 -0.365802D+01  0.622046D+00
      2   0.307068D+01 -0.720115D+01 -0.113797D+00  0.622046D+00 -0.100120D+01
      3  -0.480013D+00 -0.113797D+00 -0.150854D+00 -0.117498D+01  0.153075D+01
               126           127           128           129           130 
      1  -0.117498D+01  0.351008D+01 -0.975908D+00  0.243277D+01 -0.190592D+01
      2   0.153075D+01 -0.975908D+00  0.102889D+01 -0.103040D+01  0.696428D+00
      3  -0.417598D+01  0.243277D+01 -0.103040D+01  0.222065D+01 -0.132823D+01
               131           132           133           134           135 
      1   0.696428D+00 -0.132823D+01  0.267063D+01 -0.118734D+01  0.281670D+01
      2  -0.942233D+00  0.935660D+00 -0.118734D+01  0.176803D+01 -0.205930D+01
      3   0.935660D+00 -0.203917D+01  0.281670D+01 -0.205930D+01  0.494194D+01
               136           137           138           139           140 
      1  -0.212953D+01 -0.640525D+00  0.200819D+01 -0.428354D+00 -0.164522D+00
      2  -0.640525D+00 -0.396084D+00  0.653003D+00 -0.164522D+00 -0.581388D+00
      3   0.200819D+01  0.653003D+00 -0.222286D+01  0.670663D+00  0.786863D+00
               141           142           143           144           145 
      1   0.670663D+00  0.220909D+01  0.971235D+00 -0.260528D+01 -0.385342D+01
      2   0.786863D+00  0.971235D+00  0.171153D+01 -0.230322D+01  0.929403D+00
      3  -0.215047D+01 -0.260528D+01 -0.230322D+01  0.722031D+01 -0.198233D+01
               146           147           148           149           150 
      1   0.929403D+00 -0.198233D+01  0.160926D+01 -0.595386D+00  0.111539D+01
      2  -0.723637D+00  0.562945D+00 -0.595386D+00  0.672276D+00 -0.568821D+00
      3   0.562945D+00 -0.186944D+01  0.111539D+01 -0.568821D+00  0.180166D+01
               151           152           153           154           155 
      1  -0.263845D+01  0.851903D+00 -0.261776D+01  0.209817D+01  0.645618D+00
      2   0.851903D+00 -0.117392D+01  0.134152D+01  0.645618D+00  0.332235D+00
      3  -0.261776D+01  0.134152D+01 -0.478805D+01 -0.191816D+01 -0.296283D+00
               156           157           158           159           160 
      1  -0.191816D+01  0.227836D+00  0.150002D+00 -0.519183D+00 -0.251084D+01
      2  -0.296283D+00  0.150002D+00  0.316968D+00 -0.494860D+00 -0.842106D+00
      3   0.207972D+01 -0.519183D+00 -0.494860D+00  0.182051D+01  0.273778D+01
               161           162           163           164           165 
      1  -0.842106D+00  0.273778D+01  0.171563D+01 -0.469963D+00 -0.162970D+01
      2  -0.119229D+01  0.134654D+01 -0.469963D+00  0.978934D+00  0.490457D+00
      3   0.134654D+01 -0.721191D+01 -0.162970D+01  0.490457D+00  0.140986D+01
               166           167           168           169           170 
      1   0.105387D+01  0.154489D+01  0.489342D+00 -0.499349D+01  0.776781D+00
      2   0.154489D+01 -0.126224D+01 -0.122896D+01  0.776781D+00 -0.205602D+01
      3   0.489342D+00 -0.122896D+01 -0.140008D+01  0.303069D+01 -0.259720D+01
               171           172           173           174           175 
      1   0.303069D+01  0.336448D+01 -0.181249D+01  0.107437D+01 -0.273070D+01
      2  -0.259720D+01 -0.181249D+01  0.237665D+01 -0.414173D+00  0.317278D+01
      3  -0.648537D+01  0.107437D+01 -0.414173D+00  0.763458D+00 -0.604143D+00
               176           177           178           179           180 
      1   0.317278D+01 -0.604143D+00  0.481065D+01 -0.999869D+00  0.128056D+01
      2  -0.541171D+01  0.145224D+01 -0.999869D+00  0.289336D+01 -0.162930D+01
      3   0.145224D+01 -0.124990D+01  0.128056D+01 -0.162930D+01  0.103280D+01
               181           182           183           184           185 
      1   0.132805D+02 -0.145829D+01 -0.151317D+01 -0.340498D+01  0.108071D+01
      2  -0.145829D+01  0.130250D+01  0.193249D+00  0.108071D+01 -0.103880D+01
      3  -0.151317D+01  0.193249D+00  0.152429D+01  0.128256D+00 -0.640157D+00
               186           187           188           189           190 
      1   0.128256D+00 -0.223733D+01 -0.128150D-01  0.188192D+01 -0.659881D+01
      2  -0.640157D+00 -0.128150D-01 -0.753965D+00  0.136804D+00  0.352426D+00
      3  -0.978559D-01  0.188192D+01  0.136804D+00 -0.268154D+00  0.633120D+00
               191           192           193           194           195 
      1   0.352426D+00  0.633120D+00  0.723935D+00 -0.509415D+00 -0.564741D+00
      2  -0.140293D+01 -0.836843D+00 -0.509415D+00  0.965458D+00  0.833437D+00
      3  -0.836843D+00 -0.210866D+01 -0.564741D+00  0.833437D+00  0.446742D+00
               196           197           198           199           200 
      1   0.917081D+00 -0.303181D+00 -0.685162D+00  0.411578D+01  0.303901D+01
      2  -0.303181D+00  0.648423D+00  0.109313D+00  0.303901D+01  0.301473D+01
      3  -0.685162D+00  0.109313D+00  0.110590D+01  0.214040D+01  0.126864D+01
               201           202           203           204           205 
      1   0.214040D+01  0.401496D+01  0.384459D+01  0.193084D+01  0.120211D+01
      2   0.126864D+01  0.384459D+01  0.521422D+01  0.261956D+01  0.863832D+00
      3   0.190036D+01  0.193084D+01  0.261956D+01  0.219466D+01  0.146964D+01
               206           207           208           209           210 
      1   0.863832D+00  0.146964D+01  0.127587D+01 -0.610089D+00  0.153480D+01
      2   0.136004D+01  0.113636D+01 -0.610089D+00  0.129974D+01 -0.649105D+00
      3   0.113636D+01  0.133050D+01  0.153480D+01 -0.649105D+00  0.159619D+01
               211           212           213           214           215 
      1  -0.161527D+01  0.125640D+01 -0.136466D+01  0.170437D+01 -0.636339D+00
      2   0.125640D+01 -0.321657D+01  0.254104D+01 -0.636339D+00  0.215155D+01
      3  -0.136466D+01  0.254104D+01 -0.375716D+01  0.158890D+01 -0.204906D+01
               216           217           218           219           220 
      1   0.158890D+01  0.342585D+00  0.377073D+00 -0.105580D+01 -0.992447D-01
      2  -0.204906D+01  0.377073D+00  0.581333D+00 -0.706790D-01  0.330712D+00
      3   0.409581D+01 -0.105580D+01 -0.706790D-01  0.108585D+01  0.142056D+00
               221           222           223           224           225 
      1   0.330712D+00  0.142056D+00 -0.170303D+01 -0.362189D+00  0.142481D+01
      2  -0.911287D-01 -0.594608D+00 -0.362189D+00 -0.145599D+01  0.348747D+00
      3  -0.594608D+00 -0.139538D+01  0.142481D+01  0.348747D+00 -0.885527D+01
               226           227           228           229           230 
      1   0.364119D+01  0.360353D+01 -0.102587D+00  0.361028D+01  0.433774D+01
      2   0.360353D+01  0.414533D+01 -0.254764D+00  0.433774D+01  0.745478D+01
      3  -0.102587D+00 -0.254764D+00  0.103070D+01 -0.216936D+00 -0.187744D+00
               231           232           233           234           235 
      1  -0.216936D+00  0.101422D+01  0.757352D+00  0.767477D+00 -0.669929D+01
      2  -0.187744D+00  0.757352D+00  0.154505D+01  0.611295D+00  0.567606D+00
      3   0.841975D+00  0.767477D+00  0.611295D+00 -0.184750D+00  0.593404D+00
               236           237           238           239           240 
      1   0.567606D+00  0.593404D+00  0.923156D+00 -0.100139D+01  0.175397D+00
      2  -0.238534D+01  0.415122D+00 -0.100139D+01  0.152390D+01  0.114435D+00
      3   0.415122D+00 -0.118619D+01  0.175397D+00  0.114435D+00  0.217919D+00
               241           242           243           244           245 
      1   0.878339D+00 -0.460036D-01 -0.392883D+00  0.205204D-01 -0.852276D+00
      2  -0.460036D-01  0.710775D+00  0.117760D+00 -0.852276D+00 -0.648043D+00
      3  -0.392883D+00  0.117760D+00 -0.421377D+00  0.116437D+01  0.213454D+00
               246           247           248           249           250 
      1   0.116437D+01 -0.135994D+01 -0.111082D+01  0.368033D+00  0.285448D+01
      2   0.213454D+00 -0.111082D+01 -0.929760D+00  0.111225D+01  0.401224D+00
      3  -0.113816D+01  0.368033D+00  0.111225D+01 -0.154232D+01 -0.181450D+01
               251           252           253           254           255 
      1   0.401224D+00 -0.181450D+01  0.755791D+01 -0.106574D+01 -0.202050D+01
      2   0.161395D+01 -0.131327D+01 -0.106574D+01 -0.304763D+01 -0.981780D+00
      3  -0.131327D+01  0.522526D+01 -0.202050D+01 -0.981780D+00 -0.144216D+01
               256           257           258           259           260 
      1  -0.401325D+01 -0.255681D+01 -0.119971D+01 -0.649859D+01 -0.129356D+01
      2  -0.255681D+01  0.536287D+01 -0.286677D+00 -0.129356D+01 -0.163951D+01
      3  -0.119971D+01 -0.286677D+00 -0.220853D+01 -0.186078D+01 -0.224107D+01
               261           262           263           264           265 
      1  -0.186078D+01 -0.125166D+01  0.152460D+01 -0.662046D+00  0.263189D+01
      2  -0.224107D+01  0.152460D+01 -0.172543D+01  0.461806D+00 -0.361626D+01
      3   0.290245D+01 -0.662046D+00  0.461806D+00 -0.504901D+00  0.952770D+00
               266           267           268           269           270 
      1  -0.361626D+01  0.952770D+00 -0.111401D+00 -0.244382D+00 -0.340251D+00
      2   0.933569D+01 -0.200374D+01 -0.244382D+00  0.417505D+00  0.621939D+00
      3  -0.200374D+01  0.183649D+01 -0.340251D+00  0.621939D+00 -0.804352D+00
               271           272           273           274           275 
      1  -0.223374D+00  0.423489D+00 -0.376877D+00  0.147165D+01  0.255348D+00
      2   0.423489D+00  0.493789D+00  0.219389D+00  0.255348D+00  0.271251D+00
      3  -0.376877D+00  0.219389D+00  0.406843D+00  0.374624D+00 -0.550112D+00
               276           277           278           279           280 
      1   0.374624D+00 -0.208064D+01 -0.270081D+00 -0.785930D+00 -0.149562D+02
      2  -0.550112D+00 -0.270081D+00 -0.131365D+01  0.258048D+00 -0.157666D+01
      3   0.128341D+01 -0.785930D+00  0.258048D+00 -0.606666D+01 -0.193595D+00
               281           282           283           284           285 
      1  -0.157666D+01 -0.193595D+00  0.105553D+01 -0.104827D+01  0.149050D+00
      2  -0.142088D+01 -0.168851D+00 -0.104827D+01 -0.531513D+00  0.917433D-01
      3  -0.168851D+00 -0.112459D+01  0.149050D+00  0.917433D-01  0.340328D+00
               286           287           288           289           290 
      1   0.216082D+01  0.424949D+00 -0.100153D+01  0.108516D-01 -0.651361D+00
      2   0.424949D+00  0.543923D+00  0.888517D-01 -0.651361D+00  0.187493D+01
      3  -0.100153D+01  0.888517D-01  0.596502D-01  0.247373D+00  0.349475D+00
               291           292           293           294           295 
      1   0.247373D+00 -0.178290D+01 -0.717506D+00 -0.174375D+00  0.973552D+00
      2   0.349475D+00 -0.717506D+00 -0.936661D+01 -0.980474D+00  0.262236D+00
      3   0.431025D+00 -0.174375D+00 -0.980474D+00 -0.115911D+01  0.406564D-01
               296           297 
      1   0.262236D+00  0.406564D-01
      2   0.569434D+00 -0.729308D+00
      3  -0.729308D+00 -0.373991D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.192048D+01  0.125402D+01  0.336434D+01  0.962320D+01  0.186956D+01
      2  -0.104684D+01 -0.181232D+01  0.346273D+01 -0.421738D+01 -0.176110D+01
      3   0.160240D+02 -0.143749D+01 -0.157164D+01  0.134818D+02  0.162874D+01
                 6             7             8             9            10 
      1  -0.223735D+01  0.243968D+01  0.359750D+01 -0.540560D-01 -0.298517D+01
      2   0.867952D+00 -0.382272D+01  0.600982D+00 -0.410993D+00 -0.172484D+00
      3  -0.520096D+01 -0.141033D+02 -0.235945D+01 -0.984849D+00 -0.408372D+02
                11            12            13            14            15 
      1  -0.624308D+00  0.150407D+01  0.226261D+01  0.415844D+01 -0.918626D+01
      2   0.663281D+00 -0.260195D+01  0.493173D+01  0.149157D+00 -0.169904D+00
      3  -0.133754D+01  0.156962D+01  0.107537D+02 -0.230967D+01 -0.823340D+00
                16            17            18            19            20 
      1  -0.375117D+01 -0.258449D+01 -0.383492D+01 -0.224273D+01 -0.897390D+00
      2  -0.237632D+02 -0.163185D+01 -0.363793D+01 -0.862307D+00 -0.239730D+01
      3  -0.530882D-01 -0.624263D+00 -0.105911D+01 -0.162982D+02 -0.642965D+00
                21            22            23            24            25 
      1  -0.191916D+01 -0.507415D+01  0.171457D+01  0.760533D+00 -0.110776D+01
      2   0.757046D+01 -0.317649D+01  0.170486D+01 -0.191522D+01 -0.674270D+01
      3   0.289519D+01  0.160119D+02 -0.761362D+00  0.261651D+01 -0.124198D+02
                26            27            28            29            30 
      1   0.315545D+01  0.206361D+01  0.406915D-02  0.210502D+01 -0.276394D+01
      2  -0.826102D+00  0.136449D+01  0.404329D+01  0.787923D+00 -0.386924D+01
      3   0.402561D+01  0.188747D+01  0.368823D+02 -0.530697D+00 -0.252641D+01
                31            32            33            34            35 
      1  -0.431267D+00  0.401342D+01 -0.957408D+01 -0.549140D+01 -0.128022D+01
      2   0.392019D+01 -0.191126D+00  0.220336D+01 -0.264702D+02  0.490383D+01
      3   0.746617D+01  0.549153D+01  0.112250D+01 -0.747878D+01 -0.123915D+01
                36            37            38            39            40 
      1  -0.278017D+01  0.268965D+00  0.122184D+01 -0.169247D+01  0.560022D+01
      2   0.165009D+01 -0.557903D+01 -0.120570D+01  0.386770D+01 -0.418786D+01
      3   0.196209D+01 -0.132618D+02 -0.726580D+00  0.283682D+01  0.696060D+01
                41            42            43            44            45 
      1  -0.206278D+01 -0.321815D+01  0.411892D+01  0.150257D+01 -0.188358D+01
      2  -0.218388D+01  0.117619D+01 -0.284832D+00 -0.727996D-01 -0.245453D+01
      3   0.145776D+01 -0.254404D+01  0.206161D+02 -0.179570D+01 -0.441177D+01
                46            47            48            49            50 
      1   0.144804D+01 -0.205907D+01  0.121439D+01 -0.800053D+01 -0.234402D+01
      2   0.449730D+01 -0.255472D+01  0.891576D+01 -0.253165D+01  0.220643D+01
      3   0.204363D+02 -0.237921D+01  0.275356D+01  0.730333D+01 -0.168333D+01
                51            52            53            54            55 
      1  -0.236965D+01 -0.132417D+01  0.215145D+01 -0.710292D-01  0.155634D+01
      2  -0.345230D+01 -0.389050D+01 -0.116960D+01  0.273633D+01 -0.639947D+01
      3   0.282771D+01  0.158690D+02  0.499753D+00  0.251474D+01  0.262470D+02
                56            57            58            59            60 
      1   0.148933D+01 -0.313218D+00  0.357627D+01 -0.328842D+01  0.315131D+01
      2  -0.277270D+00 -0.358937D+01 -0.326987D+01 -0.114867D+02  0.915759D+01
      3   0.124093D+02 -0.399272D+00  0.396309D+02  0.871930D+01  0.787709D+01
                61            62            63            64            65 
      1  -0.337102D+00  0.801137D+01  0.423668D+01 -0.164992D+01  0.429399D-01
      2  -0.201275D+02  0.104005D+02  0.154884D+02  0.110755D+02 -0.433805D+00
      3   0.298046D+01  0.101377D+02 -0.597001D+01 -0.283736D+02 -0.152868D+02
                66            67            68            69            70 
      1  -0.846095D+00 -0.287371D+01 -0.210817D+01 -0.234224D+01  0.272092D+01
      2   0.659022D+01  0.412595D+01  0.145865D+02 -0.124443D+02 -0.855763D+00
      3   0.182517D+01 -0.277105D+02 -0.929117D+01 -0.125551D+02 -0.559453D+01
                71            72            73            74            75 
      1   0.517736D+01  0.182621D+01 -0.203135D+01 -0.649050D+01  0.892009D+00
      2  -0.103837D+02 -0.163009D+02 -0.181461D+02  0.555007D+01  0.277560D+01
      3  -0.135522D+02  0.805844D+01  0.182433D+02  0.919533D+01 -0.276296D+01
                76            77            78            79            80 
      1  -0.936715D+01  0.117863D+01 -0.143484D+02  0.720450D+00 -0.752223D+01
      2   0.694079D+01 -0.101774D+02  0.122202D+02  0.288119D+01  0.101905D+02
      3   0.177083D+02  0.251327D+01  0.164651D+02 -0.284995D+01  0.126570D+02
                81            82            83            84            85 
      1   0.389873D+01  0.588590D+01  0.413236D+01  0.169049D+01  0.600507D+01
      2   0.972534D+01  0.956056D+00 -0.404846D+01 -0.267550D+01 -0.729467D+01
      3  -0.100225D+02  0.253631D+02  0.356834D+01 -0.193977D+01  0.773678D+01
                86            87            88            89            90 
      1   0.920664D+01 -0.507780D+01  0.328027D+01  0.227517D+01 -0.164570D+02
      2  -0.131038D+02  0.114280D+02 -0.589053D+01  0.731748D+01  0.207831D+02
      3   0.326121D+01  0.909110D+01  0.111189D+01  0.103565D+02 -0.770810D+01
                91            92            93            94            95 
      1   0.142606D+01 -0.158336D+01  0.159029D+01  0.284749D+00 -0.168790D+01
      2  -0.107054D+02  0.729478D+00 -0.116088D+01  0.282245D+00 -0.413715D+01
      3  -0.727793D+01 -0.268223D+00 -0.738621D+00  0.338262D+02 -0.169910D+02
                96            97            98            99           100 
      1  -0.243319D+01  0.630109D+00  0.537333D+01 -0.623711D-01  0.133945D+01
      2  -0.956973D+01 -0.158962D+02 -0.853470D+01  0.115249D+02  0.472393D+01
      3  -0.141180D+01  0.137824D+01 -0.756841D+00  0.597143D+01  0.139859D+02
               101           102           103           104           105 
      1   0.186174D+01 -0.384980D+01  0.102053D+01 -0.231708D+01  0.325146D+01
      2  -0.377116D+01  0.786429D+01 -0.128318D+01  0.444235D+01  0.190474D+02
      3  -0.159319D+02  0.206363D+01 -0.850279D+01  0.134495D+01 -0.308121D+01
               106           107           108           109           110 
      1  -0.257694D+01 -0.421182D+01  0.536366D+01 -0.377764D+01 -0.221520D+01
      2  -0.643037D+00  0.123669D+02  0.844190D+01 -0.838541D+01  0.199358D+01
      3   0.125366D+02 -0.160050D+02 -0.973573D+01 -0.364403D+00 -0.382372D+00
               111           112           113           114           115 
      1   0.221231D+01 -0.212588D+01  0.498471D+01 -0.765214D+01  0.195330D+00
      2   0.430236D+01 -0.215793D+01 -0.996465D+01 -0.148733D+02  0.107208D+01
      3   0.243495D-02 -0.350949D+01  0.190455D+02  0.117202D+02 -0.121819D+02
               116           117           118           119           120 
      1   0.832308D+01 -0.107459D+02  0.327712D+01  0.965413D-01  0.989421D-01
      2  -0.117871D+02 -0.306552D+02  0.484956D+01  0.602132D+00  0.206572D+01
      3   0.192678D+02  0.121870D+02 -0.314812D+01  0.490423D+01 -0.316655D+01
               121           122           123           124           125 
      1   0.892818D-01  0.306256D+01 -0.764020D+00 -0.111654D+01  0.722687D+01
      2   0.214016D+01  0.203155D+01 -0.681698D+00 -0.124871D+01 -0.428423D+01
      3   0.902247D+01 -0.205784D+02 -0.140184D+01  0.103880D+01 -0.425104D+01
               126           127           128           129           130 
      1   0.741819D+01  0.320110D+01  0.151724D+01  0.299119D+01 -0.192232D+01
      2   0.152880D+02 -0.492092D+01 -0.219154D+00  0.631436D-02  0.144794D+01
      3   0.553554D+01 -0.569561D+01 -0.126199D+01 -0.247894D+01  0.405653D+01
               131           132           133           134           135 
      1   0.223926D+00 -0.372620D+01  0.309782D+01  0.146292D+01  0.515284D+01
      2   0.151038D+00 -0.123626D+01 -0.295308D+01 -0.527585D+00  0.215622D+01
      3   0.746672D+00  0.830594D+00 -0.349004D+01 -0.165416D+01 -0.187163D+01
               136           137           138           139           140 
      1   0.209571D+01 -0.101943D+01 -0.253706D+01  0.105728D+01  0.153271D+00
      2   0.449980D+01  0.343380D+00 -0.807924D+00  0.587944D+00 -0.217979D-01
      3   0.309660D+01  0.126524D-01 -0.208495D+01  0.186570D+01 -0.268609D+00
               141           142           143           144           145 
      1  -0.365574D+01 -0.196359D+01  0.236706D+01  0.633834D+01 -0.237697D+01
      2   0.621632D+00 -0.482613D+01 -0.488675D+00 -0.636119D+00 -0.883578D+01
      3  -0.731462D+00 -0.285453D+01  0.921692D+00  0.228374D+01  0.458275D+00
               146           147           148           149           150 
      1   0.325963D+01 -0.887837D+00  0.138846D+01 -0.164049D+01 -0.603141D+00
      2   0.144935D+01 -0.133797D+01  0.214693D+01 -0.776022D+00  0.313882D+00
      3  -0.145097D+01  0.796581D+00  0.766004D+00  0.120736D+01 -0.178668D+00
               151           152           153           154           155 
      1  -0.201677D+01  0.428626D+01 -0.309208D+01 -0.262266D+01 -0.237448D+01
      2  -0.511720D+01  0.541044D+00  0.418194D+00  0.503652D+01  0.127313D+01
      3   0.804040D+00 -0.250766D+01  0.161995D+01 -0.761939D+00 -0.104091D+01
               156           157           158           159           160 
      1   0.133185D+01 -0.481546D+00 -0.126303D+01 -0.261260D+00  0.353222D+01
      2  -0.862163D+00  0.457922D+00  0.132391D+00  0.365960D+00 -0.547938D+01
      3   0.103758D+01  0.110667D+01 -0.291757D+00  0.283300D+00  0.151775D+01
               161           162           163           164           165 
      1   0.565822D+01 -0.557107D+01 -0.120526D+01 -0.553756D+00  0.145684D+01
      2  -0.676718D+00 -0.220889D+01 -0.601460D+01  0.871607D+00  0.576377D+01
      3   0.238056D+01 -0.185855D+01 -0.120001D+01 -0.420267D+01  0.606594D+00
               166           167           168           169           170 
      1  -0.180779D+00 -0.996453D-01 -0.240155D+01  0.266874D+01  0.111498D+01
      2   0.179203D+01 -0.310356D+01 -0.499143D+01  0.497021D+01 -0.909715D+01
      3  -0.496134D+01  0.238878D+01  0.286018D+01  0.395776D+01  0.629014D+01
               171           172           173           174           175 
      1  -0.705016D+01  0.167796D+01 -0.129303D+01  0.189203D+01 -0.229948D+01
      2  -0.217895D+02  0.666514D+01 -0.250062D+01  0.510378D+01 -0.305404D+01
      3   0.431147D+01  0.224195D+01 -0.734616D+01  0.219295D+00 -0.495226D+01
               176           177           178           179           180 
      1   0.381679D+01 -0.491147D+01  0.177905D+01 -0.198792D+01  0.304118D+01
      2   0.732316D+01 -0.593881D+01  0.419396D+01 -0.668948D+01  0.440372D+01
      3   0.147738D+02 -0.393722D+01 -0.335861D+01 -0.933215D+01  0.376383D+01
               181           182           183           184           185 
      1   0.274432D+00 -0.542079D+00 -0.282070D+00  0.125097D+00  0.439686D+00
      2  -0.334082D+01  0.532044D+00  0.980038D+01 -0.458991D+00 -0.302663D+01
      3   0.544233D+01 -0.925493D+01 -0.795565D+00 -0.123844D+01  0.481917D+01
               186           187           188           189           190 
      1  -0.109428D+01 -0.439144D+00  0.108933D+01 -0.151239D+00 -0.187496D+01
      2   0.347218D-01  0.568995D+01  0.754062D+00 -0.490283D+00  0.202659D+02
      3   0.318082D+01  0.677508D+00  0.405393D+01 -0.101352D+01 -0.101170D+02
               191           192           193           194           195 
      1  -0.292180D+01  0.145687D+01 -0.118534D+01  0.341399D+00 -0.132580D+00
      2  -0.344887D+01 -0.822089D+01 -0.282128D+01  0.475224D+01  0.215184D+01
      3   0.387590D+01  0.412404D+01  0.413207D+01 -0.315575D+01 -0.336208D+01
               196           197           198           199           200 
      1   0.101501D+01  0.218732D+01 -0.362145D+00  0.333229D+01  0.533488D+01
      2  -0.787346D+01  0.891771D+00  0.502258D+01  0.232435D+01  0.352274D+00
      3   0.211614D+01 -0.212188D+01 -0.136530D+01 -0.887903D+01 -0.118066D+02
               201           202           203           204           205 
      1  -0.670232D+00  0.563229D+01  0.766104D+01 -0.241832D-01  0.106333D+01
      2   0.644469D+01 -0.223295D+00  0.482500D+01  0.738822D+01  0.212490D+01
      3  -0.355297D+01 -0.100428D+02 -0.194453D+02 -0.924811D+01 -0.156331D+01
               206           207           208           209           210 
      1   0.307292D+01  0.585211D+00 -0.233819D+01  0.332612D+01 -0.202993D+01
      2   0.262503D+01  0.337548D+01  0.536012D+01 -0.145460D+01  0.511833D+01
      3  -0.523562D+01 -0.357867D+01  0.224276D+01 -0.600249D+01  0.313107D+01
               211           212           213           214           215 
      1   0.269673D+01 -0.976214D+01  0.540020D+01 -0.221150D+01  0.824752D+01
      2  -0.106586D+01  0.872822D+01 -0.141569D+02  0.960613D+00 -0.754002D+01
      3  -0.299638D+01  0.140006D+02 -0.984756D+01  0.241090D+01 -0.899283D+01
               216           217           218           219           220 
      1  -0.610503D+01  0.140990D+01 -0.668905D+00 -0.165875D+01 -0.260277D+00
      2   0.140833D+02 -0.454228D+01 -0.250887D+00  0.350980D+01 -0.541801D+00
      3   0.834720D+01 -0.235908D+01 -0.248087D+01 -0.865871D+00 -0.269147D+00
               221           222           223           224           225 
      1   0.189664D+01  0.216720D+01 -0.148285D+01  0.529106D+01  0.160856D+02
      2  -0.182336D+01 -0.542270D+01 -0.785770D+00  0.432741D+00 -0.309918D+02
      3   0.135090D+01  0.175028D+01 -0.127125D+01  0.518051D+01 -0.120363D+01
               226           227           228           229           230 
      1  -0.409114D+01 -0.463504D+01 -0.333253D+01 -0.554459D+01 -0.860315D+01
      2   0.331214D+01  0.244390D+01  0.569081D+01  0.355149D+01  0.366528D+01
      3  -0.730360D+01 -0.116516D+02  0.127407D+01 -0.632533D+01 -0.220154D+02
               231           232           233           234           235 
      1  -0.416496D+01 -0.215107D+01 -0.147873D+01 -0.780691D+00 -0.547696D+00
      2   0.409509D+01  0.322980D+01  0.257846D+01  0.133334D+00 -0.843530D+01
      3   0.542263D+00 -0.842033D+00 -0.530036D+01 -0.116008D+01 -0.214408D+02
               236           237           238           239           240 
      1   0.216520D+01  0.288161D+01  0.104148D+01 -0.148069D+01 -0.110237D+01
      2   0.214738D+01 -0.159807D+01  0.195734D+01 -0.109663D+01 -0.142849D+00
      3   0.768343D+01 -0.359121D+00  0.694483D+01 -0.646688D+01 -0.426399D+00
               241           242           243           244           245 
      1   0.158280D+01  0.711481D+00  0.182398D+00 -0.122345D+00 -0.478029D+00
      2  -0.289943D+01 -0.199589D+00 -0.190811D+01 -0.496970D+01 -0.389197D+00
      3   0.143283D+01 -0.258431D+01 -0.135162D+01 -0.306243D+01 -0.212992D+01
               246           247           248           249           250 
      1  -0.616414D+00 -0.108276D+00  0.262094D+00 -0.176375D+01 -0.618339D+00
      2   0.388746D+01  0.281774D+00 -0.275597D+01  0.517512D+01  0.474260D+00
      3   0.968657D-01 -0.472902D+00 -0.213102D+01  0.286763D+01 -0.127429D+01
               251           252           253           254           255 
      1   0.252462D+01  0.236039D+01 -0.159950D+01  0.786003D+00 -0.211796D+01
      2   0.412721D+01 -0.160888D+02  0.185200D+02  0.420317D+01  0.794970D+01
      3   0.468159D+01 -0.292870D+01 -0.155718D+02 -0.117653D+02 -0.362254D+00
               256           257           258           259           260 
      1  -0.118107D+01 -0.598526D+01 -0.558257D+01 -0.112294D+01 -0.105899D+01
      2   0.341913D+01 -0.476409D+00  0.773029D+01  0.524244D+01  0.871624D+01
      3  -0.263107D+01  0.244433D+02  0.131618D+01  0.247387D+01 -0.204659D+01
               261           262           263           264           265 
      1   0.798149D+01  0.357282D+00  0.370759D+00  0.107383D+01  0.489592D+00
      2  -0.158901D+02  0.155084D+01 -0.106867D+01  0.163965D+01 -0.168838D+01
      3  -0.621082D+01  0.307460D+01 -0.397064D+01  0.142178D+01 -0.676182D+01
               266           267           268           269           270 
      1  -0.302731D+01 -0.422769D+01 -0.609105D+00  0.978855D+00 -0.544416D+00
      2   0.544693D+01 -0.644930D+01  0.395729D+00 -0.139021D+01  0.207668D+01
      3   0.292788D+02 -0.621261D+01 -0.485862D+00  0.159002D+01  0.186342D+01
               271           272           273           274           275 
      1  -0.171602D+01 -0.832728D+00  0.409318D+00 -0.141460D+00 -0.249647D+01
      2   0.453137D+01  0.233969D+00 -0.217973D+01  0.156105D+01  0.291766D+01
      3   0.204281D+01  0.941832D+00  0.833031D+00  0.582978D+00  0.101949D+01
               276           277           278           279           280 
      1   0.186362D+01 -0.205977D+00  0.464394D+01 -0.102257D+02  0.766367D+00
      2  -0.542519D+01 -0.263096D+01 -0.212556D+01  0.240716D+02 -0.918338D+01
      3  -0.239194D+01  0.130443D+01 -0.464134D+01  0.265097D+01  0.149264D+02
               281           282           283           284           285 
      1   0.804872D+00 -0.198137D+01  0.769436D+00  0.471040D+00  0.510316D-01
      2  -0.156982D+00  0.824211D+01 -0.661923D+00 -0.955155D+00 -0.129930D+01
      3  -0.685219D+01 -0.764965D+00 -0.406138D+01 -0.590535D+00  0.337144D+00
               286           287           288           289           290 
      1  -0.162513D+01  0.924094D+00 -0.983086D-01  0.940098D+00 -0.579390D+00
      2   0.380902D+01 -0.709877D+00 -0.434715D+00 -0.911073D+00 -0.165449D+01
      3  -0.141327D+01  0.171451D+01  0.188086D+01 -0.408476D+01  0.653792D+01
               291           292           293           294           295 
      1   0.143847D+01 -0.245372D+00  0.617968D+01 -0.397682D+01  0.636717D+00
      2  -0.148144D+01 -0.910016D+00  0.397863D+01  0.419168D+01 -0.156508D+01
      3   0.351865D+00  0.380096D+01 -0.321818D+02 -0.256986D+01 -0.991811D+00
               296           297 
      1  -0.218150D+00 -0.134036D+00
      2   0.235904D+01  0.138970D+01
      3   0.124320D+01 -0.240357D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.713501D+01  0.989234D+01 -0.208204D+02 -0.114344D+01 -0.136844D+02
      2   0.242411D+01 -0.848388D+01  0.691463D+01 -0.705939D+01  0.222563D+02
      3   0.471089D+01 -0.140846D+01  0.139057D+02  0.820283D+01 -0.857189D+01
      4   0.104819D+02 -0.840032D+00  0.653409D+01  0.875777D+01 -0.597450D+01
      5  -0.112681D+02  0.576452D+01 -0.125855D+01  0.101929D+02  0.284880D+01
      6   0.442280D+01  0.443634D+01 -0.403769D+01 -0.789263D+00 -0.643336D+01
                 6             7             8             9            10 
      1   0.649728D+01  0.367328D+02 -0.211803D+01  0.897538D+01  0.561735D+02
      2  -0.123207D+02 -0.112100D+02 -0.121156D+01 -0.511725D+01 -0.266236D+02
      3   0.582341D+01 -0.255228D+02  0.332959D+01 -0.385813D+01 -0.295499D+02
      4   0.193009D+01 -0.284031D+01  0.830211D+00  0.696723D+01 -0.103540D+02
      5   0.721262D+01  0.433550D+01  0.703058D+01 -0.546077D+01 -0.859377D+01
      6   0.418156D+01  0.110922D+02 -0.295878D+01  0.644419D+01  0.236854D+01
                11            12            13            14            15 
      1   0.883928D+01 -0.199966D+01  0.135424D+02 -0.180245D+01  0.417664D+01
      2  -0.839813D+01  0.391589D+01 -0.142485D+02  0.724383D+01 -0.717857D+00
      3  -0.441152D+00 -0.191623D+01  0.706076D+00 -0.544137D+01 -0.345878D+01
      4   0.639730D+00 -0.379337D+01  0.170246D+02 -0.757705D+01 -0.106848D+01
      5  -0.456397D+01  0.918238D+01  0.109672D+02  0.939792D-01 -0.382792D+01
      6   0.915354D+00 -0.748091D+01 -0.418704D+01  0.363554D+01  0.872040D+01
                16            17            18            19            20 
      1  -0.973280D+01  0.438713D+01 -0.171923D+02  0.754152D+01 -0.120329D+02
      2   0.140223D-01  0.470531D+01  0.135078D+01  0.327475D+00  0.120030D+02
      3   0.971878D+01 -0.909244D+01  0.158415D+02 -0.786899D+01  0.299549D-01
      4   0.128098D+02 -0.590268D+00 -0.322776D+01 -0.854090D+01  0.299147D+00
      5  -0.125963D+02 -0.407670D+01 -0.366551D+01  0.118838D+02  0.179315D+01
      6  -0.632629D+01  0.173386D+01 -0.330868D+01 -0.162431D+01 -0.568697D+01
                21            22            23            24            25 
      1   0.189622D+02  0.435757D+01 -0.119258D+02 -0.450125D+01 -0.180499D+02
      2  -0.115532D+02  0.402055D+01  0.180141D+02 -0.109707D+02  0.105884D+01
      3  -0.740902D+01 -0.837812D+01 -0.608836D+01  0.154719D+02  0.169911D+02
      4   0.241151D+01  0.144637D+02  0.608875D+01 -0.204186D+01 -0.183924D+01
      5  -0.105211D+02 -0.912916D-01 -0.124340D+01 -0.164719D+01  0.800205D+01
      6   0.546109D+01 -0.464211D+00 -0.750710D+01  0.591519D+01 -0.105898D+02
                26            27            28            29            30 
      1  -0.337180D+01  0.768019D+01  0.205454D+02 -0.452286D+01  0.260433D+01
      2  -0.323684D+01 -0.820464D+00 -0.493970D+01  0.791448D+01  0.500733D+00
      3   0.660863D+01 -0.685973D+01 -0.156057D+02 -0.339162D+01 -0.310507D+01
      4  -0.192942D+01 -0.647117D+01  0.188438D+02  0.905828D+00 -0.218742D+01
      5  -0.623265D+01  0.803128D+01  0.321212D+01 -0.173419D+01  0.651189D+01
      6   0.971365D+00  0.824232D+01  0.353847D+01 -0.107372D+01  0.589562D+01
                31            32            33            34            35 
      1  -0.390638D+01 -0.138599D+01  0.670581D+01 -0.669735D+01  0.796157D+01
      2   0.836241D+01  0.524716D+01 -0.186719D+01  0.168833D+01  0.288726D+01
      3  -0.445603D+01 -0.386117D+01 -0.483863D+01  0.500902D+01 -0.108488D+02
      4   0.142764D+02  0.114295D+01  0.134759D+01  0.933649D+01  0.531699D+01
      5   0.115597D+02  0.196494D+00  0.157517D+01 -0.152432D+02  0.388762D+01
      6  -0.141442D+01  0.331691D+01  0.609783D+01 -0.422298D+00  0.932083D+00
                36            37            38            39            40 
      1  -0.154206D+02 -0.238889D+01  0.328152D+01 -0.220070D+02 -0.940967D+01
      2   0.226260D+01 -0.166769D+01 -0.158662D+01  0.604633D+01 -0.198948D+01
      3   0.131580D+02  0.405657D+01 -0.169490D+01  0.159606D+02  0.113992D+02
      4   0.279353D+01  0.352885D+01 -0.884667D+00  0.338586D+01  0.453558D+01
      5   0.694954D+00 -0.153169D+02  0.288585D+01 -0.211885D+01  0.121765D+01
      6  -0.696361D+01  0.298120D+01  0.534860D+01  0.637889D+01  0.276195D+01
                41            42            43            44            45 
      1  -0.530462D+01 -0.590950D+01  0.212550D+02 -0.805304D+01  0.552253D+01
      2   0.565045D+01  0.366003D+00  0.281349D-01  0.175429D+01 -0.764875D+00
      3  -0.345828D+00  0.554349D+01 -0.212831D+02  0.629875D+01 -0.475766D+01
      4  -0.813586D+00  0.340879D+01  0.323136D+01  0.360864D+01  0.555394D+01
      5   0.145282D+01  0.747466D+01  0.995712D+01  0.499392D+01 -0.636639D+01
      6   0.322804D+01  0.850566D+01  0.101797D+02  0.241854D+01  0.101730D+02
                46            47            48            49            50 
      1   0.530327D+00 -0.664568D+01  0.177923D+02  0.141468D+02 -0.214319D+01
      2   0.654417D+01  0.286776D+01 -0.698732D+01 -0.382891D+01  0.257693D+01
      3  -0.707450D+01  0.377792D+01 -0.108050D+02 -0.103179D+02 -0.433744D+00
      4  -0.150697D+01  0.368138D+01 -0.200246D+01  0.971461D+01  0.533106D+01
      5   0.178037D+02 -0.290683D+00 -0.781294D+01 -0.848413D+01 -0.405881D+01
      6   0.240420D+00 -0.371100D+01  0.909595D-02 -0.216646D+01  0.445871D+01
                51            52            53            54            55 
      1  -0.171950D+02 -0.228288D+02 -0.893038D+01  0.434527D+01 -0.316487D+02
      2   0.292174D+01  0.346173D+01  0.235553D+01  0.498694D+01  0.141192D+02
      3   0.142733D+02  0.193671D+02  0.657485D+01 -0.933221D+01  0.175295D+02
      4  -0.452821D+01  0.396031D+01 -0.217502D+01 -0.438126D+01 -0.486181D+01
      5  -0.264422D+01  0.817390D+01 -0.359813D+01  0.708926D+01 -0.397321D+01
      6   0.133886D+02 -0.528896D+01  0.589907D+01  0.126419D+02  0.416477D+00
                56            57            58            59            60 
      1  -0.886613D+01 -0.441852D+01 -0.337193D+02 -0.229106D+02  0.217556D+01
      2   0.641192D+01 -0.125769D+00  0.238028D+02  0.553427D+01  0.588273D+01
      3   0.245421D+01  0.454429D+01  0.991655D+01  0.173764D+02 -0.805828D+01
      4  -0.270112D+02  0.108561D+01 -0.455283D+02  0.145552D+02 -0.151877D+02
      5   0.756074D+00 -0.137466D+02  0.997812D-01 -0.149276D+02  0.167368D+02
      6  -0.505527D-01  0.183880D+01 -0.950475D+00  0.433915D+01 -0.593711D+01
                61            62            63            64            65 
      1  -0.138372D+02  0.154022D+01 -0.291756D+01 -0.903462D+02  0.291690D+02
      2  -0.286801D+01  0.705292D+01  0.676978D+01  0.491925D+02 -0.133158D+02
      3   0.167052D+02 -0.859314D+01 -0.385221D+01  0.411537D+02 -0.158533D+02
      4   0.131561D+00 -0.193005D+02  0.282018D+02  0.273659D+02  0.239204D+02
      5  -0.251512D+02  0.248746D+02  0.359523D+02  0.228507D+02 -0.249017D+01
      6   0.122709D+02 -0.608873D+01 -0.108626D+02  0.122706D+01 -0.269466D+01
                66            67            68            69            70 
      1   0.227164D+02  0.631134D+02  0.220040D+02 -0.755031D+01  0.333122D+02
      2  -0.128368D+02 -0.287604D+02 -0.962595D+01  0.790482D+01 -0.132019D+02
      3  -0.987967D+01 -0.343530D+02 -0.123780D+02 -0.354512D+00 -0.201103D+02
      4  -0.142638D+01  0.301910D+02  0.101356D+02  0.225649D+02  0.246888D+01
      5   0.828939D+01 -0.179750D+01  0.238835D+02 -0.226205D+02  0.153678D+00
      6   0.167954D+01  0.240614D+01  0.648059D+01 -0.415883D+01 -0.317954D+01
                71            72            73            74            75 
      1  -0.391066D+01  0.245722D+01  0.377338D+02 -0.233649D+02 -0.188395D+02
      2   0.797702D+01 -0.159634D+01 -0.204651D+02  0.503997D+01  0.104050D+02
      3  -0.406636D+01 -0.860871D+00 -0.172686D+02  0.183250D+02  0.843450D+01
      4   0.207892D+02 -0.176116D+02 -0.215968D+02 -0.320970D+02 -0.556706D+01
      5  -0.179047D+02 -0.306821D+02 -0.104003D+02 -0.771003D+01 -0.177515D+02
      6  -0.516064D+01 -0.496504D+01 -0.149528D+02 -0.893752D+01 -0.465555D+00
                76            77            78            79            80 
      1  -0.308490D+02 -0.275540D+02 -0.114726D+01 -0.219388D+02  0.128690D+01
      2   0.648344D+01  0.176869D+02 -0.127907D+02  0.112535D+02 -0.124557D+02
      3   0.243656D+02  0.986702D+01  0.139380D+02  0.106853D+02  0.111688D+02
      4  -0.418709D+02 -0.144058D+02 -0.371684D+02 -0.205808D+01 -0.268606D+02
      5  -0.859022D+01 -0.439119D+02  0.233762D+02 -0.112613D+02  0.202681D+02
      6  -0.151422D+02 -0.674565D+01 -0.976979D+01  0.178945D+01 -0.835907D+01
                81            82            83            84            85 
      1  -0.106714D+02  0.379198D+02 -0.218806D+02 -0.115296D+02 -0.299418D+02
      2   0.132033D+01 -0.363848D+02  0.358581D+00  0.548367D+01  0.759345D+00
      3   0.935109D+01 -0.153502D+01  0.215220D+02  0.604595D+01  0.291824D+02
      4   0.177833D+02 -0.174167D+02 -0.378092D+02 -0.836476D+00 -0.394922D+02
      5   0.819139D+01 -0.147719D+02  0.528920D+01 -0.501796D+01  0.309706D+01
      6   0.130047D+02  0.107102D+01  0.404908D+01 -0.272567D+01  0.288245D+01
                86            87            88            89            90 
      1  -0.255781D+02  0.770436D+01 -0.126484D+02  0.219561D+01  0.179082D+00
      2  -0.119668D+01 -0.515293D+01  0.343564D+00 -0.607861D+01  0.235711D+02
      3   0.267748D+02 -0.255143D+01  0.123048D+02  0.388300D+01 -0.237502D+02
      4  -0.342587D+02 -0.137432D+02 -0.100171D+02 -0.205343D+02  0.107663D+02
      5  -0.114850D+02  0.219968D+02 -0.407926D+01  0.140485D+02  0.498870D+02
      6  -0.580517D+01  0.109778D+02 -0.133838D+01  0.101420D+02  0.102182D+02
                91            92            93            94            95 
      1   0.138591D+01 -0.112902D+01 -0.550200D+01 -0.704913D+01 -0.152610D+02
      2  -0.408294D+01 -0.255092D+01  0.768447D+00  0.867810D+01  0.751160D+01
      3   0.269702D+01  0.367994D+01  0.473355D+01 -0.162898D+01  0.774940D+01
      4  -0.146808D+02 -0.140341D+02 -0.395436D+01 -0.343517D+02  0.173608D+02
      5  -0.158318D+02 -0.262553D+01 -0.979748D+01 -0.101619D+02 -0.590443D+01
      6  -0.104235D+01 -0.594961D+01 -0.683630D+01 -0.165050D+01  0.300218D+01
                96            97            98            99           100 
      1  -0.701155D+01 -0.182659D+02 -0.705417D+01 -0.391711D+01  0.877707D+01
      2   0.356152D+01  0.352789D+01 -0.996651D+00  0.626335D+01 -0.337741D+01
      3   0.345003D+01  0.147380D+02  0.805082D+01 -0.234625D+01 -0.539966D+01
      4  -0.555078D+01 -0.169764D+02 -0.641327D+01 -0.200514D+02  0.900903D+01
      5  -0.191593D+02 -0.183478D+02 -0.192198D+02  0.222835D+02  0.101513D+02
      6  -0.224559D+01 -0.907026D+01 -0.461419D+01  0.840491D+01 -0.503538D+01
               101           102           103           104           105 
      1   0.193496D+01  0.278786D+01  0.143123D+02  0.542726D+01  0.168268D+01
      2  -0.109146D+00 -0.219263D+01 -0.143493D+02  0.433243D+00  0.449895D+01
      3  -0.182582D+01 -0.595227D+00  0.370218D-01 -0.586051D+01 -0.618163D+01
      4   0.205175D+01 -0.357253D+01 -0.771524D+00 -0.114018D+02  0.815100D+01
      5  -0.513600D+01 -0.330601D+01 -0.118458D+02  0.103504D+02  0.364300D+02
      6   0.409074D+01  0.749556D+01  0.537267D+01 -0.113414D+02 -0.207898D+02
               106           107           108           109           110 
      1   0.142013D+02 -0.525918D+00 -0.613903D-01  0.176003D+02 -0.140317D+02
      2   0.156093D+01 -0.133398D+02  0.408975D+01 -0.105799D+02  0.649392D+01
      3  -0.157622D+02  0.138657D+02 -0.402836D+01 -0.702049D+01  0.753774D+01
      4  -0.156696D+02  0.341467D+02  0.240410D+02 -0.193246D+02  0.172515D+02
      5  -0.221925D+02  0.252011D+02  0.167067D+02 -0.283898D+02  0.888495D+01
      6   0.141392D+02 -0.233162D+02 -0.118464D+02  0.116540D+02 -0.283922D+01
               111           112           113           114           115 
      1  -0.213782D+02 -0.124444D+02 -0.860774D+01 -0.720925D+01 -0.258321D+02
      2   0.139121D+02  0.327230D+01  0.183616D+02  0.369159D+01  0.144340D+02
      3   0.746610D+01  0.917211D+01 -0.975386D+01  0.351766D+01  0.113981D+02
      4   0.118855D+02  0.271333D+02 -0.335876D+02 -0.229730D+02  0.260062D+02
      5   0.212874D+02  0.182472D+02 -0.253613D+02 -0.300761D+02  0.367910D+02
      6  -0.508733D+01 -0.803852D+01  0.248469D+02  0.274947D+02 -0.149347D+02
               116           117           118           119           120 
      1  -0.525807D+01 -0.646706D+01  0.908726D+01 -0.539082D+01  0.130561D+02
      2   0.978915D+01 -0.150198D+02 -0.704723D+01  0.910412D+01 -0.876245D+01
      3  -0.453109D+01  0.214869D+02 -0.204003D+01 -0.371330D+01 -0.429364D+01
      4  -0.362079D+02 -0.257299D+02 -0.847383D+00 -0.659498D+01 -0.339004D+01
      5  -0.289279D+02 -0.658100D+02  0.119185D+02  0.127546D+01  0.738589D+01
      6   0.290843D+02  0.366679D+02 -0.453511D+01 -0.178453D+01 -0.152137D+01
               121           122           123           124           125 
      1   0.230221D-01 -0.324360D+01  0.356650D+01  0.175212D+02  0.199405D+01
      2   0.106290D+02 -0.192130D+02  0.201727D+00 -0.107730D+02 -0.657772D+00
      3  -0.106521D+02  0.224566D+02 -0.376823D+01 -0.674818D+01 -0.133627D+01
      4  -0.182751D+02  0.489753D+02  0.516998D-01 -0.756174D+01  0.659010D+01
      5   0.160303D+01 -0.136359D+00 -0.228626D+01  0.188715D+02 -0.115077D+02
      6  -0.386270D+01  0.352407D+01  0.732163D+01 -0.516575D+01  0.143963D+02
               126           127           128           129           130 
      1  -0.139931D+01  0.298392D+01  0.289912D+01 -0.161330D+01 -0.376442D+00
      2  -0.808726D+01 -0.247690D+01 -0.329845D+01 -0.159244D+01  0.840537D+00
      3   0.948657D+01 -0.507011D+00  0.399332D+00  0.320574D+01 -0.464095D+00
      4  -0.106840D+02 -0.997547D+01  0.808534D+01 -0.790323D+01  0.555218D+01
      5   0.311448D+02  0.155549D+02 -0.549359D+01  0.140928D+02 -0.788082D+01
      6  -0.182978D+02 -0.827225D+01  0.626609D+01 -0.869895D+01  0.558247D+01
               131           132           133           134           135 
      1  -0.401740D+01  0.489769D+01 -0.367607D+01  0.829682D+01 -0.145946D+02
      2   0.248605D+01 -0.187212D+00 -0.191443D+01 -0.465896D+01 -0.203132D+01
      3   0.153135D+01 -0.471048D+01  0.559050D+01 -0.363786D+01  0.166259D+02
      4  -0.599335D+01  0.586181D+01 -0.850881D+01  0.788953D+01 -0.104655D+02
      5   0.514955D+01 -0.834619D+01  0.154060D+02 -0.767654D+01  0.204921D+02
      6  -0.652875D+01  0.884569D+01 -0.103387D+02  0.123506D+02 -0.187540D+02
               136           137           138           139           140 
      1  -0.263386D+01 -0.199368D+01  0.577203D+01 -0.222887D+01 -0.462861D+01
      2  -0.267146D+01  0.651222D+00  0.270751D+01 -0.487688D+00  0.124309D+01
      3   0.530532D+01  0.134246D+01 -0.847954D+01  0.271655D+01  0.338552D+01
      4   0.543186D+01  0.373133D+01 -0.540586D+01  0.215572D+01  0.174248D+01
      5  -0.887746D+01 -0.336878D+01  0.114002D+02 -0.321849D+01 -0.232254D+01
      6  -0.588414D+01 -0.371991D+01  0.652788D+01 -0.280928D+01 -0.505369D+01
               141           142           143           144           145 
      1   0.800113D+01  0.717478D+01  0.107952D+02 -0.287925D+02  0.363769D+01
      2   0.350269D+00  0.192309D+01 -0.353098D+01 -0.528102D+01 -0.590464D+01
      3  -0.835140D+01 -0.909787D+01 -0.726422D+01  0.340735D+02  0.226695D+01
      4  -0.270917D+01 -0.595366D+01 -0.539714D+01  0.782948D+01 -0.103567D+01
      5   0.356066D+01  0.106764D+02  0.492114D+01 -0.162374D+02  0.118765D+02
      6   0.857593D+01  0.846998D+01  0.131677D+02 -0.235334D+02 -0.421806D+00
               146           147           148           149           150 
      1   0.268089D+00 -0.162069D+01  0.640899D+00 -0.153589D+01  0.500830D+01
      2   0.883590D+00 -0.470614D+01  0.203245D+01 -0.297573D+00  0.272795D+01
      3  -0.115168D+01  0.632683D+01 -0.267335D+01  0.183346D+01 -0.773625D+01
      4   0.361256D+01 -0.736935D+00  0.261245D+01 -0.313783D+01  0.936138D+00
      5  -0.266925D+01  0.101750D+02 -0.441514D+01  0.305305D+01 -0.621174D+01
      6   0.185083D+01 -0.586874D+00  0.625539D+00 -0.289947D+01  0.203375D+01
               151           152           153           154           155 
      1  -0.308765D+01  0.382768D+01 -0.136003D+02  0.322046D+00  0.813661D+00
      2  -0.614547D+01  0.128300D+01 -0.950991D+01 -0.558729D+01 -0.146093D+01
      3   0.923312D+01 -0.511068D+01  0.231102D+02  0.526524D+01  0.647269D+00
      4  -0.107488D+01  0.284226D+01 -0.149766D+01  0.131213D+01  0.285193D+01
      5   0.128299D+02 -0.377315D+01  0.160479D+02 -0.981747D+01 -0.219695D+01
      6  -0.125743D+01  0.491559D+01 -0.276566D+01  0.807387D+00 -0.176771D+01
               156           157           158           159           160 
      1   0.305517D+01 -0.209021D+01 -0.276058D+01  0.658932D+01  0.312366D+01
      2   0.578460D+01 -0.427038D+00 -0.489050D+00  0.288228D+01  0.752561D+01
      3  -0.883977D+01  0.251725D+01  0.324963D+01 -0.947159D+01 -0.106493D+02
      4  -0.418585D+00  0.135718D+01  0.969919D+00 -0.142603D+01 -0.197887D+01
      5   0.122445D+02 -0.212860D+01 -0.255947D+01  0.346174D+01  0.133679D+02
      6  -0.176121D+01 -0.103694D+01 -0.235780D+01  0.159764D+01  0.111617D-01
               161           162           163           164           165 
      1   0.292545D+01 -0.228442D+02  0.978890D+01 -0.278046D+01 -0.847638D+01
      2   0.224509D+01 -0.160908D+02 -0.769279D+01  0.817807D+00  0.617018D+01
      3  -0.517054D+01  0.389350D+02 -0.209611D+01  0.196266D+01  0.230619D+01
      4  -0.371054D+01  0.174442D+01 -0.655016D+01  0.105510D+02  0.677841D+01
      5   0.375994D+01 -0.210437D+02 -0.153361D+02  0.509393D+01  0.161593D+02
      6   0.552342D+01  0.529739D+00  0.447196D+01 -0.190309D+01 -0.315885D+01
               166           167           168           169           170 
      1   0.391865D+01  0.106491D+01 -0.265768D+01 -0.174314D+02 -0.417719D+01
      2  -0.314470D+01  0.104922D+01  0.123613D+01  0.142074D+02  0.106671D+01
      3  -0.773946D+00 -0.211414D+01  0.142154D+01  0.322394D+01  0.311048D+01
      4   0.121060D+02 -0.103680D+02 -0.883611D+01  0.136627D+02 -0.161790D+02
      5   0.488884D+01 -0.881069D+01 -0.985466D+01  0.284085D+02 -0.192216D+02
      6  -0.330548D+01  0.643332D+01  0.953075D+01 -0.973258D+01  0.124439D+02
               171           172           173           174           175 
      1  -0.319813D+01  0.201763D+02 -0.100087D+02  0.629492D+01 -0.117435D+02
      2  -0.111826D+02 -0.443118D+01 -0.167450D+00 -0.181343D+01 -0.318006D+01
      3   0.143807D+02 -0.157452D+02  0.101761D+02 -0.448149D+01  0.149236D+02
      4  -0.225034D+02 -0.219649D+02  0.251967D+02 -0.581017D+01  0.324642D+02
      5  -0.484905D+02  0.897951D+01 -0.387822D+01  0.814321D+01 -0.523684D+01
      6   0.189410D+02 -0.299507D+01  0.609604D+00 -0.193978D+01  0.236141D+01
               176           177           178           179           180 
      1   0.345995D+01 -0.448964D+00  0.191245D+02 -0.519126D+00  0.244924D+01
      2   0.172981D+02 -0.422930D+01 -0.511696D+01 -0.699903D+01 -0.683265D-01
      3  -0.207580D+02  0.467826D+01 -0.140076D+02  0.751816D+01 -0.238092D+01
      4  -0.449678D+02  0.118364D+02 -0.159245D+02  0.240666D+02 -0.140150D+02
      5   0.107530D+02 -0.961372D+01  0.109347D+02 -0.123209D+02  0.817958D+01
      6  -0.470972D+01  0.590603D+01 -0.459837D+01  0.643464D+01 -0.429885D+01
               181           182           183           184           185 
      1   0.142341D+03 -0.172621D+02 -0.159448D+02 -0.273568D+02  0.133170D+02
      2  -0.722938D+02  0.904423D+01  0.779287D+01  0.135097D+02 -0.482891D+01
      3  -0.700470D+02  0.821791D+01  0.815190D+01  0.138471D+02 -0.848804D+01
      4  -0.128900D+02  0.147834D+02  0.151152D+01  0.170476D+02 -0.877874D+01
      5  -0.184547D+02  0.216345D+01  0.176009D+02  0.231308D+01 -0.579723D+01
      6   0.656100D+00 -0.117584D+01  0.153773D+01 -0.129008D+01 -0.502007D-01
               186           187           188           189           190 
      1   0.281800D+01 -0.194019D+02  0.200600D+01  0.158022D+02 -0.453774D+02
      2  -0.198578D+01  0.110061D+02 -0.194783D+01 -0.981457D+01  0.226265D+02
      3  -0.832223D+00  0.839576D+01 -0.581734D-01 -0.598762D+01  0.227508D+02
      4  -0.540473D+01  0.431030D+00 -0.534552D+01 -0.372270D-01 -0.484045D+01
      5  -0.846649D+00  0.227321D+02 -0.338917D+00 -0.453019D+01 -0.108386D+02
      6   0.244239D+01 -0.101054D-01  0.269376D+01  0.758526D+00  0.566658D+01
               191           192           193           194           195 
      1   0.100164D+02  0.134702D+02  0.924189D+01 -0.683363D+01 -0.542645D+01
      2  -0.608571D+01 -0.168051D+01 -0.426383D+01  0.442912D+01  0.359369D+01
      3  -0.393066D+01 -0.117897D+02 -0.497806D+01  0.240450D+01  0.183276D+01
      4  -0.365954D+01 -0.143333D+01  0.282644D+01  0.351359D+01  0.542560D+01
      5  -0.152799D+01 -0.861107D+01  0.808382D+00  0.484778D+01  0.286506D+00
      6  -0.574550D+01 -0.693917D+01 -0.168904D+01  0.412089D+01  0.507450D+01
               196           197           198           199           200 
      1   0.102100D+02 -0.295109D+01 -0.845208D+01  0.323498D+02  0.196411D+02
      2  -0.265475D+01  0.166632D+01  0.120451D+00 -0.139022D+02 -0.456972D+01
      3  -0.755525D+01  0.128476D+01  0.833162D+01 -0.184476D+02 -0.150714D+02
      4   0.734207D+00  0.378582D+01 -0.131809D+01  0.325382D+02  0.317485D+02
      5   0.282155D+01 -0.126327D+01  0.391750D+01  0.260886D+02  0.162597D+02
      6  -0.311067D+01  0.417604D+01  0.208103D+01  0.119847D+02  0.115842D+02
               201           202           203           204           205 
      1   0.125673D+02  0.258304D+02  0.146264D+02  0.587701D+01  0.724744D+01
      2  -0.901748D+01 -0.698697D+01  0.329116D+01 -0.323410D+01 -0.606670D+01
      3  -0.354979D+01 -0.188434D+02 -0.179176D+02 -0.264291D+01 -0.118074D+01
      4   0.132005D+02  0.396005D+02  0.477867D+02  0.232127D+02  0.945799D+01
      5   0.217544D+02  0.245982D+02  0.270037D+02  0.220707D+02  0.174794D+02
      6   0.804628D+01  0.150013D+02  0.204921D+02  0.149973D+02  0.697407D+01
               206           207           208           209           210 
      1   0.173457D+01  0.597109D+01  0.107578D+02 -0.577220D+01  0.117292D+02
      2  -0.153900D+01 -0.550232D+01 -0.887360D+01  0.545791D+01 -0.107216D+02
      3  -0.195577D+00 -0.468770D+00 -0.188417D+01  0.314285D+00 -0.100760D+01
      4   0.121380D+02  0.110164D+02 -0.646208D+01  0.126376D+02 -0.556294D+01
      5   0.116034D+02  0.141896D+02  0.166530D+02 -0.767432D+01  0.183371D+02
      6   0.102795D+02  0.732359D+01 -0.121405D+01  0.426880D+01 -0.165108D+01
               211           212           213           214           215 
      1  -0.127609D+02  0.619910D+01 -0.395826D+01  0.113548D+02 -0.154692D+01
      2   0.114097D+02 -0.839216D+01  0.149294D+02 -0.118866D+02  0.989669D+01
      3   0.135121D+01  0.219306D+01 -0.109711D+02  0.531811D+00 -0.834977D+01
      4   0.130491D+02 -0.260478D+02  0.210610D+02 -0.534017D+01  0.166105D+02
      5  -0.166513D+02  0.238483D+02 -0.336599D+02  0.197726D+02 -0.184990D+02
      6   0.493150D+01 -0.118688D+02  0.910863D+01 -0.215240D+01  0.984942D+01
               216           217           218           219           220 
      1   0.206630D+01  0.149928D+01  0.223047D+01 -0.797439D+01 -0.169914D+01
      2  -0.188366D+02 -0.256992D+01  0.430604D+00  0.663234D+01  0.305242D+01
      3   0.167703D+02  0.107064D+01 -0.266108D+01  0.134205D+01 -0.135328D+01
      4  -0.166970D+02  0.289055D+01  0.652679D+01 -0.222969D+01  0.406421D+01
      5   0.362200D+02 -0.100671D+02 -0.891883D+00  0.138204D+02  0.207571D+01
      6  -0.716143D+01 -0.224815D+01 -0.129980D+01  0.182072D+01 -0.630884D+00
               221           222           223           224           225 
      1   0.432953D+00  0.138631D-01 -0.997768D+01  0.196244D+01 -0.114266D+02
      2  -0.109725D+01 -0.509485D+01  0.947047D+01 -0.445685D+01 -0.253068D+02
      3   0.664294D+00  0.508099D+01  0.507209D+00  0.249441D+01  0.367334D+02
      4  -0.261499D+00 -0.403209D+01 -0.579654D+01 -0.988924D+01  0.368474D+01
      5  -0.488567D+01 -0.118723D+02  0.182486D+02  0.291471D+01 -0.677303D+02
      6   0.507626D+00  0.271249D+01  0.463704D+01  0.790828D+01 -0.233227D+02
               226           227           228           229           230 
      1   0.258420D+02  0.188130D+02  0.141843D+01  0.191717D+02  0.960661D+01
      2  -0.461498D+00  0.603007D+01  0.447841D+00  0.719875D+01  0.270666D+02
      3  -0.253805D+02 -0.248430D+02 -0.186627D+01 -0.263705D+02 -0.366732D+02
      4   0.388693D+02  0.433812D+02 -0.177620D+01  0.460281D+02  0.667989D+02
      5  -0.425831D+01 -0.543747D+01  0.101479D+02 -0.608630D+01 -0.539360D+01
      6  -0.333980D+01 -0.492732D+01  0.562032D+01 -0.505969D+01 -0.873195D+01
               231           232           233           234           235 
      1  -0.266122D+00  0.675514D+01  0.181573D+01  0.313887D+01 -0.424370D+02
      2   0.858516D+00  0.260273D+00  0.488050D+01 -0.149040D+01  0.280774D+02
      3  -0.592394D+00 -0.701541D+01 -0.669623D+01 -0.164847D+01  0.143596D+02
      4  -0.214942D+01  0.815401D+01  0.131406D+02  0.644789D+01 -0.130727D+02
      5   0.786608D+01  0.692827D+01  0.510998D+01 -0.145999D+01  0.115413D+02
      6   0.689593D+01  0.393441D+01  0.445985D+01  0.405471D+00  0.250947D+00
               236           237           238           239           240 
      1   0.144572D+02  0.827956D+00  0.103971D+02 -0.968704D+01  0.327883D+00
      2  -0.147331D+02 -0.155724D+01 -0.794114D+01  0.119176D+02  0.173356D+00
      3   0.275926D+00  0.729280D+00 -0.245593D+01 -0.223056D+01 -0.501239D+00
      4  -0.496963D+01  0.339499D+01  0.388017D+01  0.539523D+01  0.249538D+00
      5   0.813828D+00 -0.680443D+01 -0.191902D+01  0.183052D+01 -0.108065D+00
      6   0.374463D+01 -0.539249D+01  0.123272D+01 -0.166020D+01  0.121889D+01
               241           242           243           244           245 
      1   0.571871D+01 -0.278190D+01 -0.513843D+01  0.260480D+01  0.374676D+01
      2  -0.324786D+01  0.382419D+01 -0.210500D+00 -0.402275D+01 -0.196038D+01
      3  -0.247085D+01 -0.104230D+01  0.534893D+01  0.141795D+01 -0.178637D+01
      4   0.146523D+01  0.379479D+01 -0.119660D+01  0.624015D+01  0.666402D+01
      5  -0.829871D+00 -0.144144D+00 -0.362562D+01 -0.103521D+02 -0.248186D+01
      6  -0.223643D+01  0.134260D+01 -0.735048D+00 -0.413248D+01 -0.535121D+00
               246           247           248           249           250 
      1  -0.575924D+01  0.477785D+01 -0.389563D+00  0.208066D+01 -0.876187D+01
      2   0.444079D+01 -0.217377D+01  0.137201D+01 -0.154045D+01  0.781583D+01
      3   0.131845D+01 -0.260408D+01 -0.982446D+00 -0.540217D+00  0.946040D+00
      4  -0.331258D+01  0.100159D+02  0.653700D+01 -0.690973D+01 -0.623636D+01
      5   0.118373D+02 -0.348822D+01 -0.709038D+01  0.106981D+02  0.159881D+02
      6   0.251755D+01 -0.203602D+01 -0.590252D+01  0.791338D+01  0.402022D+01
               251           252           253           254           255 
      1   0.216297D+01 -0.480432D+01 -0.809989D+02 -0.506791D+01  0.747656D+01
      2   0.663273D+00 -0.958507D+01  0.412346D+02  0.964431D+01 -0.545762D+01
      3  -0.282624D+01  0.143894D+02  0.397643D+02 -0.457639D+01 -0.201893D+01
      4  -0.110622D+02  0.102426D+02 -0.955949D+01  0.242954D+02  0.100111D+02
      5   0.904227D+01 -0.346194D+02  0.113282D+02  0.738935D+01  0.136678D+02
      6   0.757545D+01 -0.125647D+02  0.888909D+01  0.575230D+01  0.472128D+01
               256           257           258           259           260 
      1   0.151654D+02  0.335965D+02  0.258669D+01  0.276531D+02  0.244326D+01
      2  -0.498103D+01 -0.379250D+02 -0.703032D+01 -0.123731D+02 -0.290323D+01
      3  -0.101844D+02  0.432854D+01  0.444364D+01 -0.152800D+02  0.459979D+00
      4   0.261175D+02 -0.292144D+02  0.442096D+01  0.185113D+02  0.132003D+02
      5   0.113846D+02  0.721381D+01  0.165248D+02  0.189431D+02  0.180313D+02
      6   0.597407D+01 -0.434008D+01  0.556152D+01  0.816166D+01  0.763585D+01
               261           262           263           264           265 
      1   0.142467D+02  0.758789D+01 -0.861919D+01  0.284856D+01 -0.782186D+01
      2   0.580135D+01  0.160511D+01 -0.109144D+01 -0.214989D+00 -0.862993D+01
      3  -0.200480D+02 -0.919300D+01  0.971063D+01 -0.263357D+01  0.164518D+02
      4   0.210279D+02 -0.149047D+02  0.184439D+02 -0.422846D+01  0.305968D+02
      5  -0.195502D+02  0.549417D+01 -0.438098D+01  0.419777D+01 -0.846341D+01
      6  -0.350168D+01 -0.347896D+01  0.319800D+01 -0.166170D+01  0.640413D+01
               266           267           268           269           270 
      1  -0.555346D+01  0.636574D+00  0.544649D+00  0.104965D+01 -0.782091D+00
      2   0.358658D+02 -0.630401D+01 -0.224929D+01  0.382340D+01  0.123175D+01
      3  -0.303123D+02  0.566743D+01  0.170464D+01 -0.487306D+01 -0.449663D+00
      4  -0.641508D+02  0.139301D+02  0.196780D+01 -0.375957D+01 -0.416606D+01
      5   0.150355D+02 -0.123613D+02  0.323167D+01 -0.425625D+01  0.511033D+01
      6  -0.151925D+02  0.893905D+01 -0.192661D+01  0.484498D+01 -0.330297D+01
               271           272           273           274           275 
      1   0.555971D+01 -0.315608D+00  0.492060D+01 -0.762928D+01 -0.571174D+01
      2  -0.541232D+01 -0.849868D+00 -0.179105D+01  0.400203D+01  0.316933D+01
      3  -0.147390D+00  0.116548D+01 -0.312955D+01  0.362725D+01  0.254241D+01
      4  -0.145578D+01 -0.336857D+01 -0.496751D+00 -0.294031D+01 -0.273200D+01
      5   0.244025D+01 -0.168903D+01 -0.290966D+00 -0.455412D+01  0.301979D+01
      6  -0.657542D+00 -0.156816D+01 -0.112434D+01 -0.731657D+00 -0.437490D+00
               276           277           278           279           280 
      1  -0.262780D+00  0.116134D+02 -0.155026D+00 -0.112074D+02  0.128228D+03
      2   0.480970D+01 -0.765614D+01  0.442868D+01 -0.156332D+02 -0.610922D+02
      3  -0.454692D+01 -0.395724D+01 -0.427365D+01  0.268406D+02 -0.671359D+02
      4   0.336545D+01  0.538059D+01  0.955244D+01 -0.288185D+01  0.403993D+02
      5  -0.959322D+01  0.109288D+02 -0.201223D+01  0.430445D+02  0.100402D+02
      6   0.947920D+00  0.173372D+01  0.399170D+01  0.125250D+02 -0.522438D+00
               281           282           283           284           285 
      1   0.950794D+01 -0.123282D+01 -0.728727D+01  0.623568D+01 -0.307859D+00
      2  -0.922814D+00 -0.383600D+00  0.598798D+01  0.765663D-01  0.662783D+00
      3  -0.858512D+01  0.161642D+01  0.129929D+01 -0.631225D+01 -0.354923D+00
      4   0.186195D+02  0.981720D+00  0.116942D+02  0.547780D+01 -0.970822D+00
      5   0.154571D+01  0.138022D+02 -0.137073D+01 -0.709169D+00 -0.224216D+01
      6   0.186250D+01  0.380666D+01  0.452611D+00  0.527445D+00  0.236523D+00
               286           287           288           289           290 
      1  -0.169524D+02 -0.164531D+01  0.823910D+01  0.191947D+01  0.123871D+02
      2   0.716490D+01 -0.135910D+00 -0.633725D+01  0.144611D+01 -0.126758D+02
      3   0.978754D+01  0.178122D+01 -0.190185D+01 -0.336559D+01  0.288748D+00
      4  -0.696234D+01 -0.466288D+01  0.117015D+01  0.359051D+01 -0.658080D+01
      5   0.117323D+02 -0.450955D+00 -0.598546D+00 -0.174250D+01 -0.610737D+00
      6   0.298367D+01  0.725393D+00 -0.439482D+00 -0.290120D+00 -0.260687D+01
               291           292           293           294           295 
      1   0.185330D+00  0.117113D+02 -0.301370D+02 -0.286936D+01 -0.410694D+01
      2  -0.213251D+00 -0.337598D+01  0.526568D+02  0.292432D+01  0.935046D+00
      3   0.279204D-01 -0.833536D+01 -0.225198D+02 -0.549597D-01  0.317189D+01
      4  -0.207248D+01  0.134103D+02  0.605201D+02  0.647269D+01 -0.297091D+01
      5  -0.262624D+01  0.333035D+01  0.401670D+01  0.770052D+01  0.432412D+00
      6  -0.228773D+01  0.792600D+00  0.117159D+02  0.813322D+01 -0.579724D-01
               296           297 
      1  -0.762315D+00 -0.510163D+01
      2  -0.152629D+01  0.360261D+01
      3   0.228861D+01  0.149903D+01
      4  -0.428524D+01  0.366453D+01
      5   0.439763D+01  0.221467D+01
      6   0.663057D+01  0.132610D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Mon Sep 27 21:12:49 2021, MaxMem=  6442450944 cpu:           67100.9 elap:            8413.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -18.94312 -18.88567 -10.14040 -10.03593 -10.02705
 Alpha  occ. eigenvalues --  -10.02108 -10.01543 -10.01394 -10.01315 -10.01207
 Alpha  occ. eigenvalues --  -10.01181 -10.00874 -10.00696  -9.99191  -9.99147
 Alpha  occ. eigenvalues --   -1.16152  -1.07160  -0.93246  -0.88853  -0.86327
 Alpha  occ. eigenvalues --   -0.81413  -0.81045  -0.75280  -0.74879  -0.73468
 Alpha  occ. eigenvalues --   -0.69251  -0.67606  -0.65105  -0.62743  -0.58561
 Alpha  occ. eigenvalues --   -0.56642  -0.55219  -0.55000  -0.54074  -0.53042
 Alpha  occ. eigenvalues --   -0.51860  -0.50496  -0.50172  -0.49442  -0.48714
 Alpha  occ. eigenvalues --   -0.48405  -0.46308  -0.45253  -0.44996  -0.44792
 Alpha  occ. eigenvalues --   -0.43836  -0.42612  -0.41773  -0.40411  -0.40257
 Alpha  occ. eigenvalues --   -0.39999  -0.39647  -0.38214  -0.35303  -0.33560
 Alpha  occ. eigenvalues --   -0.31626
 Alpha virt. eigenvalues --    0.02465   0.02623   0.03446   0.03675   0.04072
 Alpha virt. eigenvalues --    0.04191   0.04513   0.04604   0.05081   0.05772
 Alpha virt. eigenvalues --    0.06223   0.06372   0.06900   0.07070   0.07254
 Alpha virt. eigenvalues --    0.07644   0.08643   0.08836   0.09067   0.09593
 Alpha virt. eigenvalues --    0.10278   0.10445   0.11009   0.11627   0.11681
 Alpha virt. eigenvalues --    0.11909   0.12485   0.13191   0.13467   0.13813
 Alpha virt. eigenvalues --    0.13948   0.14188   0.14520   0.14681   0.15112
 Alpha virt. eigenvalues --    0.15491   0.15736   0.15955   0.16367   0.16429
 Alpha virt. eigenvalues --    0.16736   0.17320   0.17595   0.17714   0.18234
 Alpha virt. eigenvalues --    0.18336   0.19071   0.19456   0.19812   0.20047
 Alpha virt. eigenvalues --    0.20370   0.20624   0.20947   0.21012   0.21445
 Alpha virt. eigenvalues --    0.21789   0.21939   0.22072   0.22853   0.23162
 Alpha virt. eigenvalues --    0.23694   0.23773   0.24277   0.24595   0.25320
 Alpha virt. eigenvalues --    0.25877   0.26063   0.26380   0.26913   0.27144
 Alpha virt. eigenvalues --    0.27330   0.27587   0.27990   0.28415   0.28747
 Alpha virt. eigenvalues --    0.29345   0.29521   0.29872   0.30014   0.30048
 Alpha virt. eigenvalues --    0.30808   0.30938   0.31218   0.31780   0.32200
 Alpha virt. eigenvalues --    0.32609   0.32764   0.33268   0.33632   0.34134
 Alpha virt. eigenvalues --    0.34454   0.34869   0.35220   0.35731   0.36005
 Alpha virt. eigenvalues --    0.36244   0.36482   0.37011   0.37588   0.38301
 Alpha virt. eigenvalues --    0.38603   0.39153   0.39734   0.40002   0.40283
 Alpha virt. eigenvalues --    0.40578   0.41028   0.41508   0.41721   0.42372
 Alpha virt. eigenvalues --    0.42702   0.42944   0.43197   0.43514   0.43834
 Alpha virt. eigenvalues --    0.44355   0.44685   0.44961   0.45543   0.45768
 Alpha virt. eigenvalues --    0.45964   0.46694   0.47086   0.47419   0.48013
 Alpha virt. eigenvalues --    0.48285   0.49338   0.49553   0.50227   0.50886
 Alpha virt. eigenvalues --    0.51016   0.51448   0.51886   0.52461   0.52799
 Alpha virt. eigenvalues --    0.53092   0.53212   0.53945   0.54676   0.54907
 Alpha virt. eigenvalues --    0.55192   0.55654   0.55971   0.56268   0.56592
 Alpha virt. eigenvalues --    0.57560   0.57945   0.58599   0.59269   0.59698
 Alpha virt. eigenvalues --    0.60374   0.60762   0.61019   0.61508   0.62086
 Alpha virt. eigenvalues --    0.62535   0.63274   0.63741   0.63893   0.64238
 Alpha virt. eigenvalues --    0.64670   0.65249   0.65301   0.65694   0.65865
 Alpha virt. eigenvalues --    0.66305   0.66574   0.67549   0.67564   0.67959
 Alpha virt. eigenvalues --    0.68570   0.69073   0.69364   0.69676   0.70189
 Alpha virt. eigenvalues --    0.70587   0.70991   0.71418   0.71664   0.72008
 Alpha virt. eigenvalues --    0.72510   0.72692   0.72852   0.73437   0.73779
 Alpha virt. eigenvalues --    0.73863   0.74570   0.75167   0.75746   0.75927
 Alpha virt. eigenvalues --    0.76862   0.77009   0.77398   0.78030   0.78836
 Alpha virt. eigenvalues --    0.79392   0.80341   0.80624   0.80994   0.81231
 Alpha virt. eigenvalues --    0.81873   0.82183   0.82596   0.83315   0.84144
 Alpha virt. eigenvalues --    0.84272   0.84682   0.85003   0.85378   0.85817
 Alpha virt. eigenvalues --    0.86402   0.86622   0.87458   0.88069   0.89006
 Alpha virt. eigenvalues --    0.89100   0.90039   0.90473   0.91187   0.91431
 Alpha virt. eigenvalues --    0.92629   0.93083   0.93563   0.94438   0.94803
 Alpha virt. eigenvalues --    0.95813   0.96209   0.97519   0.98303   0.98507
 Alpha virt. eigenvalues --    0.99260   1.00352   1.00521   1.01619   1.02508
 Alpha virt. eigenvalues --    1.02816   1.03445   1.05305   1.05757   1.06044
 Alpha virt. eigenvalues --    1.07420   1.08949   1.09166   1.09626   1.11360
 Alpha virt. eigenvalues --    1.12022   1.12612   1.13890   1.13957   1.15121
 Alpha virt. eigenvalues --    1.15539   1.15925   1.16381   1.18593   1.18851
 Alpha virt. eigenvalues --    1.19687   1.20840   1.21426   1.22148   1.23376
 Alpha virt. eigenvalues --    1.23801   1.24232   1.25081   1.26293   1.27851
 Alpha virt. eigenvalues --    1.28700   1.29737   1.29984   1.32336   1.33426
 Alpha virt. eigenvalues --    1.34652   1.37922   1.38424   1.39212   1.40757
 Alpha virt. eigenvalues --    1.41086   1.42715   1.43954   1.44351   1.45005
 Alpha virt. eigenvalues --    1.45148   1.46769   1.47924   1.48468   1.50383
 Alpha virt. eigenvalues --    1.50747   1.52219   1.52441   1.53870   1.54015
 Alpha virt. eigenvalues --    1.55094   1.56259   1.57132   1.57641   1.58745
 Alpha virt. eigenvalues --    1.59314   1.60340   1.60848   1.61917   1.62772
 Alpha virt. eigenvalues --    1.63877   1.64599   1.65201   1.65846   1.66696
 Alpha virt. eigenvalues --    1.66894   1.68672   1.70033   1.70787   1.71120
 Alpha virt. eigenvalues --    1.72708   1.73533   1.74944   1.75144   1.75594
 Alpha virt. eigenvalues --    1.76207   1.77219   1.77962   1.78268   1.79229
 Alpha virt. eigenvalues --    1.79468   1.80157   1.82142   1.83214   1.84056
 Alpha virt. eigenvalues --    1.84905   1.85471   1.85920   1.86492   1.86978
 Alpha virt. eigenvalues --    1.87640   1.88396   1.89781   1.90711   1.91092
 Alpha virt. eigenvalues --    1.92127   1.93653   1.93857   1.95131   1.95272
 Alpha virt. eigenvalues --    1.95929   1.96311   1.97043   1.97506   1.98800
 Alpha virt. eigenvalues --    1.99215   1.99657   2.01536   2.02375   2.03508
 Alpha virt. eigenvalues --    2.04055   2.05424   2.06023   2.07322   2.07719
 Alpha virt. eigenvalues --    2.08852   2.10072   2.10725   2.11740   2.12039
 Alpha virt. eigenvalues --    2.13027   2.14741   2.15109   2.16634   2.17078
 Alpha virt. eigenvalues --    2.18184   2.19190   2.20217   2.20432   2.21657
 Alpha virt. eigenvalues --    2.22203   2.23509   2.24298   2.25056   2.25497
 Alpha virt. eigenvalues --    2.26190   2.26937   2.29238   2.31008   2.32461
 Alpha virt. eigenvalues --    2.33423   2.34047   2.34871   2.35231   2.35489
 Alpha virt. eigenvalues --    2.36040   2.36507   2.36904   2.36994   2.38669
 Alpha virt. eigenvalues --    2.39148   2.41473   2.42662   2.45623   2.47961
 Alpha virt. eigenvalues --    2.50660   2.50941   2.52577   2.52888   2.54660
 Alpha virt. eigenvalues --    2.55462   2.56973   2.58908   2.59056   2.59813
 Alpha virt. eigenvalues --    2.63743   2.65350   2.67116   2.67983   2.68423
 Alpha virt. eigenvalues --    2.70727   2.73015   2.73800   2.74756   2.75942
 Alpha virt. eigenvalues --    2.77148   2.79329   2.81343   2.83773   2.84621
 Alpha virt. eigenvalues --    2.85356   2.89107   2.92617   2.94560   2.95814
 Alpha virt. eigenvalues --    2.97689   2.98941   3.08730   3.11285   3.13539
 Alpha virt. eigenvalues --    3.15497   3.22907   3.25232   3.28266   3.37227
 Alpha virt. eigenvalues --    3.39776   3.41770   3.42966   3.48182   3.50298
 Alpha virt. eigenvalues --    3.51111   3.52653   3.56589   3.66559   3.70479
 Alpha virt. eigenvalues --    3.73652   3.76315   3.86380   3.96239   4.09993
 Alpha virt. eigenvalues --    4.83766
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   50.146224 -21.104508 -26.052916  12.298014 -14.304239   7.836049
     2  C  -21.104508  34.815113  13.643527 -13.823700  11.095995 -18.983277
     3  C  -26.052916  13.643527  52.104702 -19.699504   4.934778 -15.176558
     4  C   12.298014 -13.823700 -19.699504  37.475561 -16.501165   9.385332
     5  C  -14.304239  11.095995   4.934778 -16.501165  48.161948 -23.033316
     6  C    7.836049 -18.983277 -15.176558   9.385332 -23.033316  49.241552
     7  C   -2.816084  -0.339634   1.871075  -2.070809   1.704492  -3.142339
     8  C    0.575427  -0.081909  -0.241286   0.271139  -0.297828   0.487446
     9  C   -0.083936  -0.120104   0.072143  -0.081884   0.141968  -0.383089
    10  C   -0.358020  -0.018329   0.171402  -0.125222  -0.019372  -0.152799
    11  C    1.809746  -1.901902  -3.002849  -4.845710  -3.040356   1.782590
    12  C   -0.110427  -0.062955  -0.339036   0.451287  -1.028904   0.087979
    13  O    0.008071   0.015094   0.061967   0.100737   0.013967  -0.037831
    14  O   -0.003114   0.015684   0.002624   0.154375   0.175017  -0.106598
    15  H   -5.316659   2.718724   2.057931  -1.420539   0.125193   0.245733
    16  H    2.176642  -1.603145  -5.722497   3.095564   0.419206   0.092866
    17  H   -0.126275  -0.985504   0.447230   1.622273  -5.088633   2.227709
    18  H    0.265156   2.593446   0.117019  -1.438985   2.140919  -5.381109
    19  H   -0.603365  -0.334150  -0.315574   0.138322   0.497503   0.831996
    20  H    0.918181  -0.498056   0.499749   0.095333  -0.319191  -0.639431
    21  H    0.011991  -0.077903  -0.008393   0.015543  -0.005158   0.030399
    22  H    0.052334   0.147800  -0.134101   0.031215   0.034403  -0.057703
    23  H   -0.127691  -0.015236   0.020254  -0.023027   0.008543   0.052194
    24  H    0.094823   0.028553   0.127813   0.009016   0.011594  -0.068779
    25  H   -0.073376  -0.032885   0.011229   0.016554   0.153032   0.125685
    26  H    0.050253   0.009975   0.006181  -0.023348   0.005193  -0.122788
    27  H   -0.061688   0.163071   0.050719   0.014879  -0.159021   0.044824
    28  H    0.039459   0.053629   0.085548   0.648843  -0.209211  -0.054715
    29  C    0.139009  -0.253794  -0.386221  -0.488143  -0.295653   0.252583
    30  H    0.007944  -0.006237  -0.020741  -0.069037  -0.005258   0.024315
    31  H    0.090750  -0.136799  -0.077476  -0.316911  -0.310339   0.171227
    32  H   -0.057756   0.088967  -0.044278   1.132932   0.062861  -0.095866
    33  H    0.073503  -0.070552   0.040801  -0.588650  -0.021073   0.073361
               7          8          9         10         11         12
     1  C   -2.816084   0.575427  -0.083936  -0.358020   1.809746  -0.110427
     2  C   -0.339634  -0.081909  -0.120104  -0.018329  -1.901902  -0.062955
     3  C    1.871075  -0.241286   0.072143   0.171402  -3.002849  -0.339036
     4  C   -2.070809   0.271139  -0.081884  -0.125222  -4.845710   0.451287
     5  C    1.704492  -0.297828   0.141968  -0.019372  -3.040356  -1.028904
     6  C   -3.142339   0.487446  -0.383089  -0.152799   1.782590   0.087979
     7  C   11.702716  -1.139171   0.327872   0.337540  -0.498228  -0.019500
     8  C   -1.139171   8.531362  -0.387398  -0.408321   0.058173   0.000906
     9  C    0.327872  -0.387398   5.189680  -0.311795  -0.041081   0.004296
    10  C    0.337540  -0.408321  -0.311795   5.232701  -0.026115  -0.004514
    11  C   -0.498228   0.058173  -0.041081  -0.026115  18.851809  -1.983300
    12  C   -0.019500   0.000906   0.004296  -0.004514  -1.983300   8.368665
    13  O    0.002376  -0.000378  -0.000089   0.000515   0.069620  -0.156110
    14  O   -0.003225   0.000705   0.000123  -0.001032  -0.533247  -0.040290
    15  H   -0.048657  -0.005502   0.000169   0.019362   0.098842   0.003024
    16  H    0.076744  -0.020245   0.013410   0.003436   0.136259  -0.011415
    17  H    0.120445  -0.025171   0.003005   0.024610   0.055384   0.119563
    18  H    0.136094  -0.003432   0.025632   0.015589  -0.015629   0.012790
    19  H   -0.596981   0.103798   0.014031  -0.031605  -0.006186  -0.003608
    20  H   -0.497211   0.152536  -0.018224   0.019132  -0.013291   0.001367
    21  H    0.111246  -1.228540   0.136784   0.146204   0.002973   0.000122
    22  H   -0.206707  -0.043916   0.498519  -0.230511   0.010119   0.000075
    23  H    0.110402   0.016507   0.105818   0.110915  -0.004272   0.001112
    24  H   -0.217462   0.303202  -0.199419  -0.007236   0.001908  -0.000385
    25  H   -0.187788   0.288034  -0.007853  -0.214716  -0.003340   0.001453
    26  H    0.094112   0.025096   0.121091   0.091226  -0.000147  -0.000882
    27  H   -0.197590  -0.045470  -0.235809   0.530153   0.001554  -0.000891
    28  H   -0.017568   0.004163  -0.001699  -0.001559  -1.953087   0.164904
    29  C   -0.060462   0.001620  -0.001671  -0.001482   0.724307   0.066076
    30  H   -0.000418   0.000150   0.000037  -0.000168   0.214386  -0.193504
    31  H   -0.017092   0.001794  -0.000623  -0.000838   0.237888   0.020113
    32  H    0.003498  -0.000369   0.000119   0.000039  -0.886537  -0.051116
    33  H   -0.010001   0.000345  -0.000225  -0.000143   0.524189   0.018631
              13         14         15         16         17         18
     1  C    0.008071  -0.003114  -5.316659   2.176642  -0.126275   0.265156
     2  C    0.015094   0.015684   2.718724  -1.603145  -0.985504   2.593446
     3  C    0.061967   0.002624   2.057931  -5.722497   0.447230   0.117019
     4  C    0.100737   0.154375  -1.420539   3.095564   1.622273  -1.438985
     5  C    0.013967   0.175017   0.125193   0.419206  -5.088633   2.140919
     6  C   -0.037831  -0.106598   0.245733   0.092866   2.227709  -5.381109
     7  C    0.002376  -0.003225  -0.048657   0.076744   0.120445   0.136094
     8  C   -0.000378   0.000705  -0.005502  -0.020245  -0.025171  -0.003432
     9  C   -0.000089   0.000123   0.000169   0.013410   0.003005   0.025632
    10  C    0.000515  -0.001032   0.019362   0.003436   0.024610   0.015589
    11  C    0.069620  -0.533247   0.098842   0.136259   0.055384  -0.015629
    12  C   -0.156110  -0.040290   0.003024  -0.011415   0.119563   0.012790
    13  O    8.437960  -0.019639  -0.000707   0.001809  -0.010627  -0.000920
    14  O   -0.019639   8.405079  -0.000697   0.009298  -0.076308  -0.002165
    15  H   -0.000707  -0.000697   4.084928  -0.326161   0.017773  -0.063750
    16  H    0.001809   0.009298  -0.326161   3.946862  -0.059719   0.024148
    17  H   -0.010627  -0.076308   0.017773  -0.059719   4.469033  -0.412376
    18  H   -0.000920  -0.002165  -0.063750   0.024148  -0.412376   4.212098
    19  H    0.000207  -0.000112   0.034271  -0.006065  -0.000697  -0.079799
    20  H    0.000042  -0.000003  -0.080152  -0.001087  -0.005704   0.035715
    21  H   -0.000014   0.000024   0.001233  -0.000557  -0.000613   0.000432
    22  H   -0.000232  -0.000159  -0.014188  -0.003545  -0.000050   0.015242
    23  H   -0.000085   0.000031   0.009780   0.000898  -0.000575   0.000561
    24  H    0.000045  -0.000009   0.001758  -0.002702   0.001075  -0.003611
    25  H   -0.000028   0.000151  -0.003948   0.000985  -0.002407   0.000020
    26  H    0.000083  -0.000167   0.000775  -0.000665   0.001541   0.011392
    27  H    0.000288   0.000547   0.016391  -0.001164  -0.001067  -0.020909
    28  H    0.053090   0.067386  -0.009906  -0.151426  -0.013339  -0.000783
    29  C   -0.009343   0.060765   0.013317   0.024430  -0.047266   0.002519
    30  H   -0.018843   0.279853   0.000211  -0.001588   0.008673   0.001292
    31  H    0.000082   0.038336   0.002946  -0.005920  -0.096911   0.002394
    32  H    0.009397   0.016853  -0.001300   0.014441   0.021611  -0.003413
    33  H   -0.001084   0.011923   0.002581  -0.005986  -0.017022   0.002553
              19         20         21         22         23         24
     1  C   -0.603365   0.918181   0.011991   0.052334  -0.127691   0.094823
     2  C   -0.334150  -0.498056  -0.077903   0.147800  -0.015236   0.028553
     3  C   -0.315574   0.499749  -0.008393  -0.134101   0.020254   0.127813
     4  C    0.138322   0.095333   0.015543   0.031215  -0.023027   0.009016
     5  C    0.497503  -0.319191  -0.005158   0.034403   0.008543   0.011594
     6  C    0.831996  -0.639431   0.030399  -0.057703   0.052194  -0.068779
     7  C   -0.596981  -0.497211   0.111246  -0.206707   0.110402  -0.217462
     8  C    0.103798   0.152536  -1.228540  -0.043916   0.016507   0.303202
     9  C    0.014031  -0.018224   0.136784   0.498519   0.105818  -0.199419
    10  C   -0.031605   0.019132   0.146204  -0.230511   0.110915  -0.007236
    11  C   -0.006186  -0.013291   0.002973   0.010119  -0.004272   0.001908
    12  C   -0.003608   0.001367   0.000122   0.000075   0.001112  -0.000385
    13  O    0.000207   0.000042  -0.000014  -0.000232  -0.000085   0.000045
    14  O   -0.000112  -0.000003   0.000024  -0.000159   0.000031  -0.000009
    15  H    0.034271  -0.080152   0.001233  -0.014188   0.009780   0.001758
    16  H   -0.006065  -0.001087  -0.000557  -0.003545   0.000898  -0.002702
    17  H   -0.000697  -0.005704  -0.000613  -0.000050  -0.000575   0.001075
    18  H   -0.079799   0.035715   0.000432   0.015242   0.000561  -0.003611
    19  H    2.471602  -0.627253  -0.018497   0.015940  -0.015754   0.024932
    20  H   -0.627253   2.472446  -0.020292  -0.019084   0.023121  -0.012393
    21  H   -0.018497  -0.020292   2.500256   0.111424  -0.067213  -0.086551
    22  H    0.015940  -0.019084   0.111424   1.810194  -0.561041  -0.305437
    23  H   -0.015754   0.023121  -0.067213  -0.561041   2.192995  -0.532430
    24  H    0.024932  -0.012393  -0.086551  -0.305437  -0.532430   2.049726
    25  H   -0.012983   0.025279  -0.086129  -0.002902   0.032314  -0.016166
    26  H    0.024754  -0.017328  -0.067477  -0.002038  -0.041156   0.032629
    27  H   -0.021125   0.018368   0.112550  -0.018532  -0.000535  -0.004131
    28  H    0.000026  -0.000704   0.000249   0.000702  -0.000030  -0.000192
    29  C   -0.000577  -0.002656   0.000148   0.000672  -0.000274   0.000393
    30  H   -0.000176   0.000062   0.000013   0.000100   0.000021  -0.000032
    31  H   -0.000447  -0.000522   0.000070   0.000115  -0.000029  -0.000020
    32  H    0.000292   0.000114  -0.000013  -0.000013   0.000001   0.000045
    33  H   -0.000607  -0.000041   0.000044  -0.000129  -0.000026   0.000025
              25         26         27         28         29         30
     1  C   -0.073376   0.050253  -0.061688   0.039459   0.139009   0.007944
     2  C   -0.032885   0.009975   0.163071   0.053629  -0.253794  -0.006237
     3  C    0.011229   0.006181   0.050719   0.085548  -0.386221  -0.020741
     4  C    0.016554  -0.023348   0.014879   0.648843  -0.488143  -0.069037
     5  C    0.153032   0.005193  -0.159021  -0.209211  -0.295653  -0.005258
     6  C    0.125685  -0.122788   0.044824  -0.054715   0.252583   0.024315
     7  C   -0.187788   0.094112  -0.197590  -0.017568  -0.060462  -0.000418
     8  C    0.288034   0.025096  -0.045470   0.004163   0.001620   0.000150
     9  C   -0.007853   0.121091  -0.235809  -0.001699  -0.001671   0.000037
    10  C   -0.214716   0.091226   0.530153  -0.001559  -0.001482  -0.000168
    11  C   -0.003340  -0.000147   0.001554  -1.953087   0.724307   0.214386
    12  C    0.001453  -0.000882  -0.000891   0.164904   0.066076  -0.193504
    13  O   -0.000028   0.000083   0.000288   0.053090  -0.009343  -0.018843
    14  O    0.000151  -0.000167   0.000547   0.067386   0.060765   0.279853
    15  H   -0.003948   0.000775   0.016391  -0.009906   0.013317   0.000211
    16  H    0.000985  -0.000665  -0.001164  -0.151426   0.024430  -0.001588
    17  H   -0.002407   0.001541  -0.001067  -0.013339  -0.047266   0.008673
    18  H    0.000020   0.011392  -0.020909  -0.000783   0.002519   0.001292
    19  H   -0.012983   0.024754  -0.021125   0.000026  -0.000577  -0.000176
    20  H    0.025279  -0.017328   0.018368  -0.000704  -0.002656   0.000062
    21  H   -0.086129  -0.067477   0.112550   0.000249   0.000148   0.000013
    22  H   -0.002902  -0.002038  -0.018532   0.000702   0.000672   0.000100
    23  H    0.032314  -0.041156  -0.000535  -0.000030  -0.000274   0.000021
    24  H   -0.016166   0.032629  -0.004131  -0.000192   0.000393  -0.000032
    25  H    2.058565  -0.532225  -0.305059  -0.000234   0.000133   0.000049
    26  H   -0.532225   2.196593  -0.563830   0.000104  -0.000155  -0.000033
    27  H   -0.305059  -0.563830   1.812563   0.000092   0.001560  -0.000219
    28  H   -0.000234   0.000104   0.000092   2.747610   0.063133   0.008639
    29  C    0.000133  -0.000155   0.001560   0.063133   4.739398  -0.019189
    30  H    0.000049  -0.000033  -0.000219   0.008639  -0.019189   0.596877
    31  H   -0.000165  -0.000034   0.000560   0.085961   0.558205  -0.008110
    32  H    0.000043  -0.000003   0.000079   0.007858  -0.196236  -0.000915
    33  H    0.000045  -0.000042   0.000043  -0.011089   0.080237   0.003538
              31         32         33
     1  C    0.090750  -0.057756   0.073503
     2  C   -0.136799   0.088967  -0.070552
     3  C   -0.077476  -0.044278   0.040801
     4  C   -0.316911   1.132932  -0.588650
     5  C   -0.310339   0.062861  -0.021073
     6  C    0.171227  -0.095866   0.073361
     7  C   -0.017092   0.003498  -0.010001
     8  C    0.001794  -0.000369   0.000345
     9  C   -0.000623   0.000119  -0.000225
    10  C   -0.000838   0.000039  -0.000143
    11  C    0.237888  -0.886537   0.524189
    12  C    0.020113  -0.051116   0.018631
    13  O    0.000082   0.009397  -0.001084
    14  O    0.038336   0.016853   0.011923
    15  H    0.002946  -0.001300   0.002581
    16  H   -0.005920   0.014441  -0.005986
    17  H   -0.096911   0.021611  -0.017022
    18  H    0.002394  -0.003413   0.002553
    19  H   -0.000447   0.000292  -0.000607
    20  H   -0.000522   0.000114  -0.000041
    21  H    0.000070  -0.000013   0.000044
    22  H    0.000115  -0.000013  -0.000129
    23  H   -0.000029   0.000001  -0.000026
    24  H   -0.000020   0.000045   0.000025
    25  H   -0.000165   0.000043   0.000045
    26  H   -0.000034  -0.000003  -0.000042
    27  H    0.000560   0.000079   0.000043
    28  H    0.085961   0.007858  -0.011089
    29  C    0.558205  -0.196236   0.080237
    30  H   -0.008110  -0.000915   0.003538
    31  H    1.612428  -0.403971  -0.280823
    32  H   -0.403971   2.001058  -0.355710
    33  H   -0.280823  -0.355710   1.725437
 Mulliken charges:
               1
     1  C    0.606479
     2  C    1.061001
     3  C    0.894740
     4  C    0.559712
     5  C    0.952105
     6  C    0.442360
     7  C    1.488316
     8  C   -0.893469
     9  C    1.220203
    10  C    1.210957
    11  C    0.175533
    12  C    0.684474
    13  O   -0.519420
    14  O   -0.452009
    15  H   -1.162773
    16  H   -1.113113
    17  H   -1.169660
    18  H   -1.188129
    19  H   -0.482110
    20  H   -0.488821
    21  H   -0.514354
    22  H   -0.128563
    23  H   -0.296091
    24  H   -0.230582
    25  H   -0.231367
    26  H   -0.298680
    27  H   -0.131201
    28  H   -0.605853
    29  C    1.034617
    30  H    0.198306
    31  H   -0.165841
    32  H   -0.262714
    33  H   -0.194052
 Sum of Mulliken charges =   0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.556294
     2  C    1.061001
     3  C   -0.218373
     4  C    0.559712
     5  C   -0.217555
     6  C   -0.745769
     7  C    0.517385
     8  C   -1.407823
     9  C    0.564967
    10  C    0.549708
    11  C   -0.430320
    12  C    0.684474
    13  O   -0.519420
    14  O   -0.253702
    29  C    0.412009
 Electronic spatial extent (au):  <R**2>=           4251.0908
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.8534    Y=             -0.7322    Z=             -1.5632  Tot=              1.9256
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -87.1292   YY=            -91.4515   ZZ=            -93.3595
   XY=              1.5570   XZ=              5.4941   YZ=             -6.5998
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              3.5175   YY=             -0.8047   ZZ=             -2.7128
   XY=              1.5570   XZ=              5.4941   YZ=             -6.5998
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -16.9390  YYY=             28.8183  ZZZ=             -6.4517  XYY=            -18.4136
  XXY=             -3.2370  XXZ=            -20.3392  XZZ=              5.6063  YZZ=             -6.3600
  YYZ=             -5.6910  XYZ=             16.3057
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -4274.3613 YYYY=           -738.8785 ZZZZ=           -647.8045 XXXY=            -24.6602
 XXXZ=             65.5130 YYYX=            -77.9277 YYYZ=            -27.0173 ZZZX=              4.3975
 ZZZY=            -22.4462 XXYY=           -802.0223 XXZZ=           -878.6247 YYZZ=           -246.8731
 XXYZ=            -58.1708 YYXZ=             42.9788 ZZXY=              2.6388
 N-N= 9.839721115949D+02 E-N=-3.493824482433D+03  KE= 6.517181124324D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Mon Sep 27 21:12:50 2021, MaxMem=  6442450944 cpu:               3.0 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 3.39577811D-01-2.87272771D-01-6.13776507D-01
 Polarizability= 1.98599416D+02-1.02311466D+00 1.29438191D+02
                -5.60187804D-01-6.77632298D+00 1.47115336D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.2391    0.2366       -0.6701   -0.6700
 2     -0.2391   -0.2366        3.4676    3.4682      -37.7101  -37.7082
 3      0.6701    0.6700       28.5357   28.5359       -3.4693   -3.4682
 4     -3.4676   -3.4682       -0.0000    0.0000        0.6708    0.6700
 5      9.1744    9.1723       -0.6708   -0.6700        0.2356    0.2366
 6      3.4693    3.4682       -0.2356   -0.2366       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.7099   -0.7099       -2.0099   -2.0099
 2    -10.4047  -10.4047       -0.0000    0.0000       -2.0099   -2.0099
 3    -10.4047  -10.4047       -0.7099   -0.7099       -0.0000    0.0000
 4     -0.7099   -0.7099       10.4047   10.4047     -113.1246 -113.1246
 5      2.0099    2.0099       85.6077   85.6077      -10.4047  -10.4047
 6     27.5169   27.5169       -2.0099   -2.0099        0.7099    0.7099
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0889    0.0000       -0.7847   -0.9466        2.7173    2.6799
 2      0.8954    0.9466      -13.8868  -13.8729      150.8285  150.8328
 3     -2.6241   -2.6799     -114.0591 -114.1436       13.8862   13.8729
 4     13.9698   13.8729       -0.0015    0.0000       -2.6972   -2.6799
 5    -36.7467  -36.6892        2.6058    2.6799       -0.9570   -0.9466
 6    -13.8745  -13.8729        0.9880    0.9466       -0.0336    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0432    0.0000     -105.5614 -105.7740       -4.0168   -3.9922
 2    105.7594  105.7740       10.9873   10.9002        7.8076    7.6934
 3      3.9624    3.9922       32.9179   32.9294      -10.7668  -10.9002
 4    -10.8871  -10.9002       -0.0317    0.0000        4.0814    3.9922
 5    -40.6984  -40.6228       -4.1634   -3.9922     -105.7449 -105.7740
 6     10.8584   10.9002      105.9515  105.7740        0.0206    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -17.8759  -17.8403       -4.1774   -3.8528      -19.8391  -19.7641
 2    -32.5959  -32.6450      -85.1669  -84.9045      -19.7724  -19.7641
 3    -32.5269  -32.6450       -4.1923   -3.8528      -19.4246  -19.3603
 4     80.9692   81.0517       14.7583   14.8047       22.9441   22.8809
 5      0.3956    0.4038       38.2999   38.3801      -14.8421  -14.8047
 6    -61.5028  -61.2610       -0.4968   -0.4038      -80.9088  -81.0517
 Full mass-weighted force constant matrix:
 Low frequencies ---    0.0002    0.0006    0.0007    2.7454    3.6231    7.2845
 Low frequencies ---   21.9162   38.6948   48.0069
 Diagonal vibrational polarizability:
       34.3937459      29.8762995      10.2499969
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     21.8979                38.6888                48.0036
 Red. masses --      3.9123                 7.5997                 3.5819
 Frc consts  --      0.0011                 0.0067                 0.0049
 IR Inten    --      0.4615                 0.8274                 0.2989
 RamAct Fr= 1--      0.7016                 1.3721                 0.9071
  Dep-P Fr= 1--      0.7405                 0.6928                 0.7416
  Dep-U Fr= 1--      0.8509                 0.8185                 0.8516
 Alpha2 Fr= 1--      0.0001                 0.0014                 0.0001
 Beta2  Fr= 1--      0.0995                 0.1872                 0.1288
 AlphaG Fr= 1--     -0.0014                 0.0083                -0.0022
 Gamma2 Fr= 1--     -0.0712                -0.2748                -0.3606
 Delta2 Fr= 1--     -0.2700                 0.2005                -0.2499
 Raman1 Fr= 1--       2.806                  5.488                  3.628
 ROA1   Fr= 1--     -15.474                -19.966                -42.620
 CID1   Fr= 1--      -5.514                 -3.638                -11.746
 Raman2 Fr= 1--       1.194                  2.246                  1.545
 ROA2   Fr= 1--       0.451                 -8.199                 -6.656
 CID2   Fr= 1--       0.378                 -3.650                 -4.308
 Raman3 Fr= 1--       2.388                  4.492                  3.090
 ROA3   Fr= 1--     -15.474                -19.966                -42.620
 CID3   Fr= 1--      -6.480                 -4.445                -13.793
 RC180  Fr= 1--       0.702                  0.637                  0.703
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.03   0.05    -0.01  -0.06  -0.02     0.02   0.09   0.01
     2   6     0.00  -0.03   0.05    -0.01  -0.06  -0.02     0.00  -0.02  -0.03
     3   6    -0.03   0.02   0.01    -0.01  -0.08  -0.03     0.02   0.09   0.02
     4   6    -0.01  -0.05  -0.04    -0.01  -0.10  -0.04     0.00  -0.02  -0.01
     5   6     0.02  -0.10  -0.04    -0.01  -0.12  -0.04    -0.02  -0.14  -0.05
     6   6     0.02  -0.10   0.00    -0.01  -0.10  -0.04    -0.02  -0.13  -0.06
     7   6     0.01  -0.02   0.09    -0.00   0.04   0.01     0.00   0.02  -0.05
     8   6    -0.03   0.03  -0.00    -0.11   0.10   0.06    -0.03   0.03  -0.02
     9   6    -0.10   0.18  -0.05    -0.16   0.06   0.06     0.11  -0.10   0.03
    10   6    -0.01  -0.06  -0.14    -0.20   0.09   0.08    -0.20   0.09   0.13
    11   6    -0.01  -0.03  -0.07    -0.00  -0.01  -0.02     0.01   0.01   0.02
    12   6     0.03  -0.02   0.06     0.16   0.03  -0.01     0.03   0.01  -0.01
    13   8    -0.02  -0.12   0.11     0.51   0.12  -0.00    -0.11  -0.00  -0.02
    14   8     0.15   0.12   0.11    -0.08  -0.03  -0.02     0.20   0.04  -0.01
    15   1    -0.04   0.08   0.09    -0.01  -0.04  -0.01     0.04   0.17   0.03
    16   1    -0.05   0.07   0.01    -0.01  -0.07  -0.02     0.04   0.17   0.05
    17   1     0.04  -0.15  -0.07    -0.02  -0.14  -0.05    -0.03  -0.22  -0.08
    18   1     0.04  -0.15  -0.00    -0.01  -0.11  -0.04    -0.04  -0.21  -0.09
    19   1     0.04  -0.11   0.12     0.04   0.08   0.02    -0.01   0.06  -0.06
    20   1     0.01   0.05   0.18     0.05   0.07   0.01     0.03   0.01  -0.08
    21   1    -0.02   0.03   0.06    -0.09   0.19   0.06    -0.04   0.11  -0.15
    22   1    -0.11   0.18  -0.12    -0.18  -0.03   0.06     0.13  -0.17   0.16
    23   1    -0.12   0.21  -0.10    -0.23   0.10   0.09     0.10  -0.09   0.03
    24   1    -0.11   0.24   0.05    -0.10   0.07   0.05     0.23  -0.14  -0.08
    25   1     0.04  -0.17  -0.11    -0.17   0.13   0.08    -0.30   0.19   0.09
    26   1    -0.03  -0.03  -0.20    -0.27   0.14   0.11    -0.23   0.11   0.13
    27   1    -0.02  -0.06  -0.21    -0.22   0.00   0.08    -0.20   0.01   0.27
    28   1    -0.05  -0.12  -0.11    -0.01   0.01  -0.01     0.02   0.03   0.02
    29   6    -0.02   0.10  -0.16    -0.08   0.04  -0.00    -0.04   0.02   0.04
    30   1     0.18   0.11   0.19     0.08   0.01  -0.02     0.19   0.04  -0.03
    31   1    -0.01   0.20  -0.12    -0.06   0.01  -0.01    -0.06   0.01   0.04
    32   1    -0.02   0.11  -0.16    -0.07   0.13   0.01    -0.03   0.04   0.08
    33   1    -0.05   0.09  -0.27    -0.16   0.02   0.01    -0.05   0.01   0.04
                      4                      5                      6
                      A                      A                      A
 Frequencies --     60.6395                91.0160               116.7064
 Red. masses --      4.3923                 2.8783                 4.4344
 Frc consts  --      0.0095                 0.0140                 0.0356
 IR Inten    --      0.2323                 0.0469                 0.0204
 RamAct Fr= 1--      3.1594                 1.9883                 3.1239
  Dep-P Fr= 1--      0.7385                 0.7490                 0.6936
  Dep-U Fr= 1--      0.8496                 0.8565                 0.8191
 Alpha2 Fr= 1--      0.0006                 0.0000                 0.0031
 Beta2  Fr= 1--      0.4473                 0.2838                 0.4264
 AlphaG Fr= 1--     -0.0022                 0.0009                 0.0003
 Gamma2 Fr= 1--      0.4518                 0.4375                -0.3364
 Delta2 Fr= 1--      0.3575                 0.1514                -0.0620
 Raman1 Fr= 1--      12.638                  7.953                 12.496
 ROA1   Fr= 1--      54.809                 46.843                -34.281
 CID1   Fr= 1--       4.337                  5.890                 -2.743
 Raman2 Fr= 1--       5.368                  3.406                  5.117
 ROA2   Fr= 1--       7.983                  9.288                 -7.579
 CID2   Fr= 1--       1.487                  2.727                 -1.481
 Raman3 Fr= 1--      10.736                  6.812                 10.235
 ROA3   Fr= 1--      54.809                 46.843                -34.281
 CID3   Fr= 1--       5.105                  6.877                 -3.350
 RC180  Fr= 1--       0.699                  0.713                  0.638
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.20  -0.07     0.03   0.11  -0.04    -0.07   0.03   0.02
     2   6     0.02  -0.06  -0.04    -0.00   0.03  -0.08    -0.07   0.13   0.04
     3   6     0.03  -0.18  -0.04     0.04   0.11  -0.02    -0.09  -0.09  -0.01
     4   6     0.03  -0.02   0.03     0.00   0.00  -0.03    -0.10  -0.12  -0.01
     5   6     0.02   0.07   0.05    -0.03  -0.09  -0.08    -0.10  -0.02   0.02
     6   6     0.01   0.05   0.01    -0.03  -0.07  -0.10    -0.09   0.11   0.05
     7   6     0.02   0.01  -0.03     0.00   0.03  -0.07    -0.07   0.10   0.01
     8   6    -0.07   0.05   0.01     0.02  -0.02   0.07     0.06   0.02  -0.01
     9   6    -0.22   0.06  -0.00    -0.17  -0.03   0.06     0.15   0.03  -0.01
    10   6    -0.04   0.02  -0.03     0.20   0.01   0.04     0.18   0.06  -0.01
    11   6     0.04   0.04   0.08     0.01  -0.00   0.03    -0.10  -0.09   0.00
    12   6     0.04   0.04  -0.01     0.00  -0.01   0.03     0.06  -0.05  -0.02
    13   8    -0.12   0.06  -0.06    -0.01  -0.01   0.03     0.10  -0.01  -0.04
    14   8     0.24   0.02  -0.04     0.00  -0.01   0.03     0.20  -0.04  -0.03
    15   1     0.03  -0.30  -0.12     0.05   0.18  -0.03    -0.06   0.04   0.01
    16   1     0.04  -0.27  -0.06     0.07   0.18   0.02    -0.08  -0.16  -0.02
    17   1     0.01   0.18   0.10    -0.06  -0.17  -0.09    -0.11  -0.03   0.03
    18   1     0.00   0.14   0.04    -0.06  -0.13  -0.13    -0.09   0.18   0.07
    19   1     0.05   0.05  -0.04     0.02   0.13  -0.09    -0.12   0.09  -0.00
    20   1     0.05   0.02  -0.05    -0.03  -0.04  -0.14    -0.10   0.06  -0.02
    21   1    -0.04   0.09   0.11     0.03  -0.07   0.22     0.03  -0.10  -0.05
    22   1    -0.25   0.02  -0.10    -0.18   0.07  -0.09     0.19   0.13   0.03
    23   1    -0.27   0.09   0.04    -0.12  -0.11   0.17     0.25  -0.03  -0.03
    24   1    -0.24   0.09   0.04    -0.36  -0.08   0.10     0.10   0.00  -0.02
    25   1     0.06   0.01  -0.02     0.40   0.03   0.05     0.14   0.04  -0.01
    26   1    -0.09   0.05   0.01     0.17  -0.00   0.18     0.27  -0.00  -0.02
    27   1    -0.06  -0.01  -0.13     0.17   0.02  -0.15     0.21   0.17  -0.00
    28   1     0.06   0.11   0.11     0.06   0.01   0.04    -0.11  -0.06   0.01
    29   6    -0.01  -0.01   0.15    -0.04  -0.02   0.09    -0.18  -0.04   0.02
    30   1     0.20   0.02  -0.10    -0.01  -0.01   0.02     0.32  -0.01  -0.06
    31   1    -0.01  -0.08   0.13    -0.11  -0.04   0.07    -0.15  -0.08   0.01
    32   1    -0.00   0.04   0.17    -0.03  -0.03   0.15    -0.17   0.07   0.03
    33   1    -0.04  -0.01   0.22    -0.03  -0.02   0.08    -0.28  -0.06   0.04
                      7                      8                      9
                      A                      A                      A
 Frequencies --    162.9938               199.9986               232.8944
 Red. masses --      3.7665                 3.0282                 1.1623
 Frc consts  --      0.0590                 0.0714                 0.0371
 IR Inten    --      0.1605                 0.0179                 0.0103
 RamAct Fr= 1--      0.7917                 0.3146                 0.2685
  Dep-P Fr= 1--      0.1221                 0.2813                 0.7374
  Dep-U Fr= 1--      0.2177                 0.4390                 0.8489
 Alpha2 Fr= 1--      0.0131                 0.0034                 0.0001
 Beta2  Fr= 1--      0.0287                 0.0230                 0.0380
 AlphaG Fr= 1--     -0.0059                -0.0067                -0.0006
 Gamma2 Fr= 1--     -0.2990                 0.5138                 0.2938
 Delta2 Fr= 1--     -0.1829                 0.3475                 0.1363
 Raman1 Fr= 1--       3.167                  1.258                  1.074
 ROA1   Fr= 1--     -34.555                 60.447                 32.572
 CID1   Fr= 1--     -10.912                 48.042                 30.324
 Raman2 Fr= 1--       0.345                  0.276                  0.456
 ROA2   Fr= 1--      -5.712                  9.552                  5.962
 CID2   Fr= 1--     -16.572                 34.583                 13.077
 Raman3 Fr= 1--       0.689                  0.552                  0.912
 ROA3   Fr= 1--     -34.555                 60.447                 32.572
 CID3   Fr= 1--     -50.123                109.426                 35.722
 RC180  Fr= 1--      -0.565                 -0.122                  0.698
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.09   0.06     0.04  -0.08   0.04     0.01   0.04   0.00
     2   6    -0.05   0.03   0.01     0.01  -0.05   0.02     0.01   0.02  -0.00
     3   6     0.02   0.10   0.12     0.03  -0.09   0.08     0.01   0.03  -0.00
     4   6    -0.00   0.05   0.11     0.00  -0.07   0.11     0.01  -0.00  -0.01
     5   6    -0.05   0.08   0.10    -0.02  -0.13   0.08     0.02   0.03  -0.00
     6   6    -0.07   0.08   0.05    -0.03  -0.11   0.04     0.02   0.04  -0.00
     7   6    -0.08  -0.02  -0.10     0.01   0.06  -0.08     0.01  -0.02   0.00
     8   6    -0.07  -0.04  -0.05     0.02   0.05  -0.04    -0.00  -0.01   0.00
     9   6    -0.14  -0.10  -0.04     0.01  -0.01  -0.03    -0.02  -0.02   0.00
    10   6    -0.05  -0.01  -0.02     0.09   0.11  -0.00    -0.03  -0.03  -0.00
    11   6    -0.02  -0.05   0.01    -0.01   0.02   0.03     0.01  -0.01  -0.01
    12   6     0.04  -0.04  -0.01    -0.02   0.03   0.00     0.01  -0.02   0.00
    13   8     0.09  -0.01  -0.02    -0.07   0.06  -0.03    -0.00  -0.03   0.01
    14   8     0.13  -0.04  -0.02    -0.07  -0.02  -0.02     0.00  -0.02   0.00
    15   1     0.04   0.10   0.03     0.06  -0.07   0.02     0.01   0.05   0.00
    16   1     0.04   0.12   0.13     0.07  -0.10   0.10     0.01   0.04  -0.00
    17   1    -0.09   0.08   0.13    -0.04  -0.15   0.09     0.02   0.04  -0.00
    18   1    -0.10   0.07   0.04    -0.07  -0.12   0.02     0.02   0.05   0.00
    19   1    -0.15   0.05  -0.13    -0.06   0.15  -0.12     0.01  -0.02   0.00
    20   1    -0.05  -0.06  -0.17     0.10   0.03  -0.18    -0.01  -0.02   0.01
    21   1    -0.07  -0.04  -0.02     0.02   0.03  -0.04     0.00   0.00   0.01
    22   1    -0.13  -0.04  -0.09     0.03   0.09  -0.06    -0.04  -0.06  -0.00
    23   1    -0.09  -0.16   0.04     0.10  -0.09   0.03    -0.07   0.01   0.00
    24   1    -0.24  -0.16  -0.06    -0.10  -0.07  -0.07     0.01  -0.00   0.00
    25   1     0.01   0.04  -0.02     0.23   0.20  -0.00    -0.05  -0.05  -0.00
    26   1    -0.07  -0.01   0.05     0.04   0.11   0.15    -0.03  -0.02  -0.03
    27   1    -0.06  -0.03  -0.05     0.06   0.07  -0.11    -0.03  -0.04   0.02
    28   1    -0.11  -0.09  -0.02    -0.13  -0.01  -0.01     0.01  -0.01  -0.01
    29   6     0.18  -0.06  -0.14     0.03   0.15  -0.12    -0.04   0.01   0.01
    30   1     0.24  -0.01  -0.04    -0.13  -0.03  -0.05    -0.02  -0.03  -0.00
    31   1     0.27   0.02  -0.09     0.30   0.12  -0.08     0.37  -0.35  -0.04
    32   1     0.15  -0.19  -0.27     0.01   0.37  -0.34    -0.06   0.49  -0.30
    33   1     0.29  -0.04  -0.17    -0.18   0.10  -0.06    -0.46  -0.08   0.38
                     10                     11                     12
                      A                      A                      A
 Frequencies --    248.2536               255.2333               269.0494
 Red. masses --      1.0957                 2.4751                 1.0826
 Frc consts  --      0.0398                 0.0950                 0.0462
 IR Inten    --      0.0150                 0.1219                 0.4622
 RamAct Fr= 1--      0.2448                 0.9087                 0.6629
  Dep-P Fr= 1--      0.7435                 0.7498                 0.1660
  Dep-U Fr= 1--      0.8529                 0.8570                 0.2847
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0098
 Beta2  Fr= 1--      0.0348                 0.1298                 0.0315
 AlphaG Fr= 1--     -0.0018                -0.0001                 0.0031
 Gamma2 Fr= 1--     -0.2083                 0.2310                 0.0159
 Delta2 Fr= 1--     -0.0363                 0.2057                -0.0371
 Raman1 Fr= 1--       0.979                  3.635                  2.652
 ROA1   Fr= 1--     -21.163                 28.759                  0.344
 CID1   Fr= 1--     -21.611                  7.912                  0.130
 Raman2 Fr= 1--       0.418                  1.557                  0.377
 ROA2   Fr= 1--      -4.710                  3.899                  0.680
 CID2   Fr= 1--     -11.277                  2.504                  1.800
 Raman3 Fr= 1--       0.835                  3.115                  0.755
 ROA3   Fr= 1--     -21.163                 28.759                  0.344
 CID3   Fr= 1--     -25.338                  9.233                  0.455
 RC180  Fr= 1--       0.706                  0.714                 -0.431
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.00   0.01    -0.05  -0.06  -0.02     0.01   0.00  -0.01
     2   6     0.01  -0.00   0.02    -0.05  -0.04  -0.02     0.00  -0.00  -0.01
     3   6    -0.01  -0.00  -0.01    -0.04  -0.03  -0.01     0.01   0.00  -0.00
     4   6     0.00   0.00  -0.02    -0.02   0.02   0.00     0.01  -0.00  -0.00
     5   6     0.02   0.02  -0.01    -0.04  -0.04  -0.02     0.01   0.00  -0.00
     6   6     0.02   0.01   0.01    -0.05  -0.08  -0.03     0.01   0.00  -0.01
     7   6     0.00  -0.01   0.01    -0.04   0.02   0.01    -0.00  -0.01   0.00
     8   6    -0.00   0.00  -0.01    -0.02   0.02   0.01    -0.01  -0.01   0.01
     9   6     0.03   0.00  -0.01     0.05   0.05   0.01    -0.02   0.02  -0.00
    10   6    -0.04  -0.01  -0.01     0.04   0.04   0.02    -0.02  -0.00   0.02
    11   6     0.00   0.00  -0.01    -0.01   0.04  -0.02     0.02  -0.00   0.01
    12   6     0.00  -0.00  -0.01    -0.02   0.05  -0.02     0.01  -0.01   0.01
    13   8     0.01  -0.02   0.00     0.02  -0.01   0.02    -0.01   0.00  -0.00
    14   8    -0.00   0.02   0.00    -0.00   0.16   0.03     0.00  -0.04  -0.00
    15   1    -0.02   0.00   0.02    -0.05  -0.08  -0.03     0.02   0.00  -0.01
    16   1    -0.02  -0.01  -0.02    -0.05  -0.03  -0.02     0.02   0.00  -0.00
    17   1     0.03   0.03  -0.01    -0.04  -0.04  -0.02     0.01   0.01  -0.00
    18   1     0.03   0.01   0.02    -0.04  -0.10  -0.04     0.01   0.01  -0.01
    19   1    -0.01  -0.02   0.01    -0.02   0.02   0.02     0.01  -0.01   0.00
    20   1     0.01   0.00   0.02    -0.03   0.03   0.02    -0.01  -0.01   0.01
    21   1    -0.00   0.01  -0.03    -0.03  -0.03  -0.01    -0.01  -0.01   0.00
    22   1     0.11   0.38  -0.07     0.08   0.20   0.02     0.06   0.43  -0.11
    23   1     0.34  -0.24   0.06     0.17  -0.03  -0.02     0.30  -0.23   0.07
    24   1    -0.33  -0.13  -0.02    -0.06   0.02   0.02    -0.41  -0.10   0.03
    25   1     0.33   0.13   0.01    -0.06   0.02   0.01    -0.40  -0.11   0.00
    26   1    -0.34   0.13   0.26     0.16  -0.03  -0.04     0.23  -0.12  -0.24
    27   1    -0.16  -0.30  -0.27     0.09   0.16   0.09     0.08   0.23   0.31
    28   1     0.02   0.01  -0.01    -0.03   0.10  -0.00     0.02  -0.02   0.00
    29   6    -0.02  -0.02   0.02     0.15  -0.17   0.02    -0.01   0.04  -0.00
    30   1    -0.00   0.01   0.02     0.02   0.15   0.11    -0.01  -0.04  -0.03
    31   1    -0.03  -0.05   0.00     0.40  -0.46  -0.04    -0.02   0.07   0.01
    32   1    -0.02   0.00   0.03     0.11  -0.11  -0.24    -0.00   0.05   0.02
    33   1    -0.03  -0.02   0.04     0.13  -0.16   0.37    -0.02   0.03  -0.04
                     13                     14                     15
                      A                      A                      A
 Frequencies --    283.3657               335.0054               359.1586
 Red. masses --      3.3458                 3.7323                 3.0804
 Frc consts  --      0.1583                 0.2468                 0.2341
 IR Inten    --      0.2211                 0.9197                 0.4476
 RamAct Fr= 1--      0.7270                 1.6707                 1.8387
  Dep-P Fr= 1--      0.7074                 0.7466                 0.4122
  Dep-U Fr= 1--      0.8286                 0.8549                 0.5838
 Alpha2 Fr= 1--      0.0005                 0.0001                 0.0130
 Beta2  Fr= 1--      0.1004                 0.2381                 0.1789
 AlphaG Fr= 1--      0.0000                -0.0006                 0.0064
 Gamma2 Fr= 1--     -0.7093                -0.1556                 0.9848
 Delta2 Fr= 1--     -0.0153                -0.7919                 0.5587
 Raman1 Fr= 1--       2.908                  6.683                  7.355
 ROA1   Fr= 1--     -68.583                -40.281                112.421
 CID1   Fr= 1--     -23.584                 -6.028                 15.286
 Raman2 Fr= 1--       1.205                  2.857                  2.147
 ROA2   Fr= 1--     -16.901                  2.600                 19.166
 CID2   Fr= 1--     -14.028                  0.910                  8.927
 Raman3 Fr= 1--       2.410                  5.713                  4.294
 ROA3   Fr= 1--     -68.583                -40.281                112.421
 CID3   Fr= 1--     -28.460                 -7.050                 26.182
 RC180  Fr= 1--       0.657                  0.710                  0.168
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.01   0.13     0.11   0.08  -0.03     0.04  -0.04  -0.03
     2   6     0.05  -0.02   0.14     0.04   0.14  -0.04     0.01  -0.14  -0.07
     3   6    -0.02   0.01   0.03     0.10  -0.10   0.05     0.05   0.09   0.07
     4   6     0.02  -0.03  -0.02     0.01  -0.15   0.08    -0.00   0.05   0.08
     5   6     0.09  -0.01   0.02    -0.05  -0.10   0.07    -0.01   0.09   0.10
     6   6     0.10   0.00   0.12    -0.04   0.10   0.00    -0.03  -0.04  -0.00
     7   6     0.03   0.00  -0.05     0.04   0.06  -0.05     0.02  -0.08  -0.09
     8   6     0.00   0.03  -0.11     0.05  -0.02   0.08     0.01  -0.07   0.02
     9   6    -0.11  -0.13  -0.09     0.00  -0.00   0.08     0.03   0.17  -0.03
    10   6     0.03   0.11  -0.02    -0.08  -0.17  -0.04     0.02   0.00   0.13
    11   6     0.00   0.00  -0.09    -0.00  -0.01  -0.03    -0.04  -0.03  -0.04
    12   6     0.00   0.01  -0.08     0.01   0.04  -0.09    -0.02  -0.03  -0.07
    13   8     0.02  -0.08  -0.01    -0.01  -0.03  -0.04     0.04  -0.09  -0.02
    14   8    -0.04   0.14  -0.02    -0.06   0.18  -0.02    -0.01   0.06  -0.04
    15   1    -0.05   0.02   0.18     0.19   0.11  -0.07     0.07  -0.03  -0.04
    16   1    -0.08   0.03   0.02     0.18  -0.16   0.07     0.11   0.15   0.12
    17   1     0.14  -0.01  -0.02    -0.12  -0.15   0.11    -0.02   0.17   0.14
    18   1     0.16   0.01   0.15    -0.13   0.16  -0.02    -0.07  -0.02  -0.02
    19   1    -0.13   0.00  -0.08     0.03   0.20  -0.09     0.03   0.07  -0.13
    20   1     0.15   0.03  -0.10    -0.04  -0.07  -0.17     0.06  -0.15  -0.20
    21   1     0.01   0.06  -0.09     0.06   0.02   0.10     0.01  -0.08   0.02
    22   1    -0.14  -0.19  -0.17     0.00   0.03   0.05     0.03   0.22  -0.08
    23   1    -0.16  -0.14   0.09     0.02  -0.02   0.10     0.01   0.25  -0.29
    24   1    -0.16  -0.21  -0.17    -0.04  -0.01   0.09     0.08   0.35   0.18
    25   1    -0.15   0.15  -0.05    -0.16  -0.37  -0.01     0.00   0.17   0.09
    26   1     0.20   0.01  -0.06    -0.16  -0.06  -0.27     0.02  -0.03   0.26
    27   1     0.10   0.26   0.14    -0.10  -0.25  -0.01     0.02  -0.01   0.20
    28   1     0.01   0.08  -0.06    -0.11   0.09  -0.01    -0.09   0.01  -0.04
    29   6    -0.10  -0.07   0.05    -0.02  -0.03  -0.00    -0.12  -0.01  -0.01
    30   1    -0.07   0.12   0.11    -0.13   0.14   0.14     0.06   0.06   0.05
    31   1    -0.26  -0.13   0.00    -0.10  -0.00  -0.01    -0.19  -0.02  -0.03
    32   1    -0.08  -0.07   0.22    -0.01  -0.08   0.07    -0.09   0.04   0.09
    33   1    -0.08  -0.06   0.08     0.03  -0.02  -0.04    -0.17  -0.03  -0.04
                     16                     17                     18
                      A                      A                      A
 Frequencies --    391.9542               406.6735               409.7655
 Red. masses --      2.5316                 2.8265                 2.4905
 Frc consts  --      0.2292                 0.2754                 0.2464
 IR Inten    --      0.7566                 0.5987                 0.7956
 RamAct Fr= 1--      1.9458                 4.4407                 1.4575
  Dep-P Fr= 1--      0.3014                 0.0898                 0.2193
  Dep-U Fr= 1--      0.4632                 0.1649                 0.3597
 Alpha2 Fr= 1--      0.0199                 0.0797                 0.0188
 Beta2  Fr= 1--      0.1502                 0.1220                 0.0874
 AlphaG Fr= 1--      0.0117                 0.0075                 0.0199
 Gamma2 Fr= 1--     -0.0666                -0.3416                 1.2267
 Delta2 Fr= 1--     -0.1773                -0.2558                 0.3344
 Raman1 Fr= 1--       7.783                 17.763                  5.830
 ROA1   Fr= 1--     -12.065                -40.981                128.462
 CID1   Fr= 1--      -1.550                 -2.307                 22.034
 Raman2 Fr= 1--       1.803                  1.464                  1.049
 ROA2   Fr= 1--      -0.180                 -6.153                 26.765
 CID2   Fr= 1--      -0.100                 -4.202                 25.527
 Raman3 Fr= 1--       3.605                  2.929                  2.097
 ROA3   Fr= 1--     -12.065                -40.981                128.462
 CID3   Fr= 1--      -3.346                -13.992                 61.259
 RC180  Fr= 1--      -0.074                 -0.670                 -0.281
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.06   0.01     0.03  -0.01  -0.10     0.01  -0.05  -0.06
     2   6    -0.01   0.10   0.02     0.09  -0.02  -0.08    -0.06   0.00  -0.07
     3   6    -0.00  -0.07  -0.02     0.03   0.05   0.00     0.05   0.05   0.08
     4   6     0.00  -0.09  -0.04    -0.07   0.01   0.06     0.05  -0.02   0.06
     5   6    -0.01  -0.09  -0.04    -0.02  -0.02   0.06    -0.04  -0.04   0.01
     6   6     0.01   0.09   0.01     0.00   0.01  -0.01    -0.05   0.07  -0.05
     7   6    -0.02  -0.08   0.03     0.16  -0.04   0.10    -0.06  -0.04   0.13
     8   6     0.06  -0.12  -0.07     0.10   0.05  -0.04    -0.09   0.02  -0.03
     9   6    -0.05   0.06  -0.14    -0.03  -0.06  -0.03     0.00  -0.04  -0.01
    10   6    -0.01   0.01   0.15    -0.00   0.04  -0.01     0.03   0.07  -0.03
    11   6     0.03   0.01   0.02    -0.15  -0.04   0.01     0.08   0.01   0.00
    12   6     0.02   0.03   0.02    -0.10   0.01   0.03     0.07  -0.02  -0.07
    13   8    -0.03   0.05  -0.00     0.00   0.10   0.00     0.01  -0.12  -0.03
    14   8    -0.01   0.01   0.02     0.01   0.02   0.03    -0.02   0.04  -0.04
    15   1     0.02   0.08   0.00     0.02  -0.03  -0.10     0.09  -0.10  -0.14
    16   1    -0.01  -0.09  -0.04     0.14   0.06   0.06     0.09   0.12   0.12
    17   1    -0.03  -0.14  -0.05    -0.01  -0.02   0.05    -0.12  -0.10   0.06
    18   1     0.02   0.13   0.02    -0.10   0.07  -0.04    -0.07   0.15  -0.04
    19   1    -0.04  -0.24   0.06     0.32  -0.34   0.20     0.13  -0.38   0.26
    20   1    -0.13  -0.05   0.14     0.06   0.14   0.40    -0.18   0.16   0.48
    21   1     0.06  -0.12  -0.07     0.12   0.12  -0.02    -0.10  -0.02  -0.05
    22   1    -0.10   0.06  -0.33    -0.06  -0.07  -0.14     0.03  -0.04   0.10
    23   1    -0.15   0.16  -0.25    -0.05  -0.10   0.16     0.05  -0.09   0.02
    24   1    -0.09   0.21   0.07    -0.14  -0.14  -0.08     0.03  -0.11  -0.10
    25   1    -0.05   0.32   0.08    -0.06   0.07  -0.02     0.12   0.12  -0.02
    26   1    -0.06  -0.02   0.38    -0.03   0.07  -0.03     0.09   0.01   0.08
    27   1    -0.01  -0.10   0.30    -0.00  -0.02   0.07     0.04   0.16  -0.12
    28   1     0.03   0.01   0.02    -0.18  -0.08  -0.01     0.03   0.08   0.02
    29   6     0.06   0.00   0.01    -0.07  -0.09  -0.07     0.02   0.07   0.04
    30   1    -0.09  -0.01   0.01     0.25   0.08   0.02    -0.17  -0.00   0.03
    31   1     0.08   0.02   0.02    -0.01  -0.09  -0.06    -0.05   0.10   0.04
    32   1     0.05  -0.04  -0.03    -0.09  -0.15  -0.15     0.04   0.13   0.12
    33   1     0.10   0.02   0.01    -0.02  -0.08  -0.04    -0.04   0.05  -0.02
                     19                     20                     21
                      A                      A                      A
 Frequencies --    423.5012               490.3380               559.2527
 Red. masses --      2.8423                 3.4755                 2.6828
 Frc consts  --      0.3004                 0.4923                 0.4944
 IR Inten    --      0.0991                 3.5355                20.3893
 RamAct Fr= 1--      0.0492                 0.8500                 0.2027
  Dep-P Fr= 1--      0.4338                 0.2565                 0.7499
  Dep-U Fr= 1--      0.6051                 0.4083                 0.8571
 Alpha2 Fr= 1--      0.0003                 0.0099                 0.0000
 Beta2  Fr= 1--      0.0050                 0.0578                 0.0290
 AlphaG Fr= 1--     -0.0079                 0.0004                -0.0000
 Gamma2 Fr= 1--     -0.1050                 0.0532                 0.0347
 Delta2 Fr= 1--     -0.0545                -0.0066                 0.0228
 Raman1 Fr= 1--       0.197                  3.400                  0.811
 ROA1   Fr= 1--     -11.826                  4.898                  4.055
 CID1   Fr= 1--     -60.106                  1.441                  5.000
 Raman2 Fr= 1--       0.060                  0.694                  0.348
 ROA2   Fr= 1--      -2.084                  1.331                  0.649
 CID2   Fr= 1--     -35.007                  1.917                  1.869
 Raman3 Fr= 1--       0.119                  1.388                  0.695
 ROA3   Fr= 1--     -11.826                  4.898                  4.055
 CID3   Fr= 1--     -99.329                  3.528                  5.834
 RC180  Fr= 1--       0.210                 -0.183                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.20   0.04    -0.07  -0.07  -0.03     0.07  -0.06   0.00
     2   6    -0.01   0.01  -0.03     0.00   0.11   0.04    -0.01   0.17   0.05
     3   6    -0.00  -0.19  -0.04    -0.07   0.00  -0.00     0.08  -0.04   0.04
     4   6     0.01  -0.01   0.03    -0.03   0.18   0.06     0.10   0.16   0.07
     5   6     0.01   0.18   0.08    -0.06  -0.00   0.01     0.06  -0.02  -0.01
     6   6    -0.04  -0.17  -0.09    -0.06  -0.08  -0.01     0.04  -0.03  -0.05
     7   6    -0.01  -0.02   0.06     0.06   0.09   0.03    -0.11   0.03   0.02
     8   6    -0.01   0.00  -0.02     0.22   0.02  -0.02    -0.07  -0.04  -0.01
     9   6    -0.01  -0.02  -0.01    -0.02  -0.02  -0.05    -0.01  -0.00  -0.02
    10   6     0.01   0.03   0.00    -0.01  -0.05   0.03    -0.00  -0.01   0.01
    11   6     0.01  -0.00   0.00     0.00   0.08   0.03     0.01  -0.02  -0.07
    12   6     0.01  -0.00  -0.02    -0.00  -0.03  -0.06    -0.07  -0.02   0.03
    13   8     0.00  -0.02  -0.01     0.05  -0.17   0.03    -0.00   0.06  -0.01
    14   8    -0.01   0.02  -0.01     0.01  -0.03  -0.07    -0.01  -0.01   0.03
    15   1     0.09   0.41   0.09    -0.12  -0.25  -0.08     0.11  -0.33  -0.15
    16   1    -0.00  -0.40  -0.10    -0.08  -0.14  -0.05     0.05  -0.32  -0.05
    17   1     0.00   0.39   0.17    -0.07  -0.15  -0.05    -0.01  -0.31  -0.07
    18   1    -0.09  -0.37  -0.16    -0.11  -0.26  -0.08     0.05  -0.33  -0.13
    19   1     0.07  -0.18   0.11    -0.00   0.06   0.02    -0.14  -0.01   0.02
    20   1    -0.06   0.07   0.21     0.00   0.06   0.01    -0.17   0.01   0.04
    21   1    -0.01  -0.00  -0.02     0.22   0.01  -0.02    -0.08  -0.09  -0.02
    22   1    -0.01  -0.04  -0.01    -0.11  -0.10  -0.34     0.01   0.02   0.04
    23   1    -0.02  -0.03   0.02    -0.16   0.02   0.15     0.02   0.00  -0.10
    24   1    -0.01  -0.04  -0.04    -0.17  -0.03   0.01     0.03   0.02  -0.00
    25   1     0.02   0.06  -0.00    -0.17  -0.03   0.01     0.03   0.02   0.01
    26   1     0.04   0.00   0.04    -0.18   0.10  -0.08     0.04  -0.06   0.08
    27   1     0.02   0.05  -0.00    -0.05  -0.29   0.22     0.01   0.04  -0.02
    28   1    -0.01   0.02   0.01    -0.01   0.13   0.05     0.02  -0.11  -0.10
    29   6    -0.00   0.01   0.01     0.04   0.09   0.06    -0.08  -0.06  -0.06
    30   1    -0.04   0.01   0.02     0.06  -0.01  -0.12     0.37   0.08   0.04
    31   1    -0.01   0.03   0.01     0.04   0.10   0.06    -0.19  -0.14  -0.11
    32   1     0.00   0.02   0.03     0.04   0.10   0.06    -0.05   0.03   0.07
    33   1    -0.01   0.01  -0.01     0.02   0.08   0.05    -0.17  -0.08  -0.01
                     22                     23                     24
                      A                      A                      A
 Frequencies --    585.9070               611.1952               639.8066
 Red. masses --      1.7350                 2.7718                 2.1868
 Frc consts  --      0.3509                 0.6101                 0.5274
 IR Inten    --     53.6677                39.0599                41.5169
 RamAct Fr= 1--      1.3828                 0.9169                 1.8511
  Dep-P Fr= 1--      0.3696                 0.2972                 0.6057
  Dep-U Fr= 1--      0.5397                 0.4582                 0.7544
 Alpha2 Fr= 1--      0.0114                 0.0095                 0.0049
 Beta2  Fr= 1--      0.1244                 0.0700                 0.2328
 AlphaG Fr= 1--     -0.0192                -0.0154                 0.0206
 Gamma2 Fr= 1--     -0.0503                 0.1161                -0.5807
 Delta2 Fr= 1--      0.0038                 0.3194                -0.4813
 Raman1 Fr= 1--       5.531                  3.668                  7.405
 ROA1   Fr= 1--      -4.707                 21.362                -71.153
 CID1   Fr= 1--      -0.851                  5.824                 -9.609
 Raman2 Fr= 1--       1.493                  0.840                  2.793
 ROA2   Fr= 1--      -1.238                  0.231                -10.087
 CID2   Fr= 1--      -0.830                  0.274                 -3.611
 Raman3 Fr= 1--       2.985                  1.681                  5.586
 ROA3   Fr= 1--      -4.707                 21.362                -71.153
 CID3   Fr= 1--      -1.577                 12.710                -12.737
 RC180  Fr= 1--       0.079                 -0.084                  0.509
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.04  -0.00    -0.00   0.06  -0.04    -0.05  -0.01   0.00
     2   6     0.04   0.00   0.01     0.06   0.04  -0.02    -0.07  -0.06  -0.05
     3   6     0.00  -0.03  -0.05    -0.02  -0.05  -0.00    -0.03  -0.02   0.11
     4   6    -0.03  -0.00  -0.01    -0.04   0.04   0.05     0.05  -0.10  -0.00
     5   6     0.01  -0.04  -0.01     0.04  -0.07   0.06     0.05   0.00   0.03
     6   6     0.03   0.03   0.03     0.04   0.04   0.01     0.02   0.01  -0.08
     7   6     0.02  -0.05  -0.02     0.04  -0.07  -0.03    -0.05   0.06   0.02
     8   6    -0.07  -0.02   0.00    -0.09  -0.02   0.00     0.07   0.02  -0.00
     9   6    -0.00   0.01   0.01    -0.00   0.01   0.02     0.01  -0.00  -0.02
    10   6    -0.00   0.01  -0.01    -0.01   0.02  -0.01     0.01  -0.01   0.01
    11   6    -0.05   0.03   0.08    -0.08   0.14  -0.08     0.06   0.07  -0.11
    12   6    -0.10  -0.02  -0.03     0.01   0.12   0.03     0.01   0.07   0.03
    13   8     0.02  -0.07   0.01     0.02  -0.07   0.16    -0.03   0.00   0.08
    14   8    -0.05   0.01  -0.05     0.06  -0.08  -0.09    -0.05  -0.06  -0.03
    15   1    -0.01   0.06   0.03    -0.01  -0.00  -0.06     0.06   0.18   0.01
    16   1     0.02  -0.06  -0.05     0.04  -0.17  -0.01    -0.02   0.19   0.17
    17   1     0.05  -0.07  -0.05     0.04  -0.18   0.01    -0.02   0.18   0.15
    18   1     0.02   0.04   0.03    -0.03  -0.01  -0.03     0.05   0.19  -0.02
    19   1     0.02  -0.03  -0.02     0.05  -0.05  -0.03    -0.03   0.07   0.02
    20   1     0.04  -0.05  -0.02     0.04  -0.06  -0.02    -0.05   0.05   0.00
    21   1    -0.06   0.03   0.02    -0.07   0.05   0.03     0.05  -0.06  -0.02
    22   1     0.03   0.05   0.12     0.04   0.06   0.15    -0.03  -0.05  -0.13
    23   1     0.05  -0.01  -0.08     0.07  -0.01  -0.10    -0.06   0.01   0.09
    24   1     0.05   0.02   0.00     0.06   0.02   0.01    -0.05  -0.02  -0.01
    25   1     0.05   0.02  -0.00     0.06   0.03  -0.00    -0.05  -0.03   0.00
    26   1     0.07  -0.05   0.04     0.08  -0.07   0.06    -0.08   0.06  -0.05
    27   1     0.01   0.11  -0.07     0.02   0.14  -0.08    -0.01  -0.13   0.07
    28   1    -0.02   0.08   0.10    -0.14   0.15  -0.09     0.02   0.02  -0.13
    29   6     0.05   0.06   0.06    -0.03  -0.02  -0.03    -0.01  -0.01  -0.02
    30   1     0.84   0.23  -0.05    -0.47  -0.15  -0.50     0.65   0.14  -0.24
    31   1     0.15   0.14   0.10    -0.09  -0.18  -0.10    -0.14  -0.18  -0.10
    32   1     0.02   0.04  -0.06    -0.04  -0.17  -0.01     0.02  -0.03   0.12
    33   1     0.06   0.07  -0.00     0.14   0.04   0.16     0.03   0.01   0.13
                     25                     26                     27
                      A                      A                      A
 Frequencies --    663.2814               713.8231               759.0098
 Red. masses --      5.5491                 3.0614                 4.0402
 Frc consts  --      1.4384                 0.9191                 1.3713
 IR Inten    --      6.2423                19.8792                11.9231
 RamAct Fr= 1--      5.2089                 0.5818                 4.2299
  Dep-P Fr= 1--      0.5972                 0.2346                 0.0200
  Dep-U Fr= 1--      0.7478                 0.3801                 0.0392
 Alpha2 Fr= 1--      0.0148                 0.0072                 0.0897
 Beta2  Fr= 1--      0.6492                 0.0369                 0.0277
 AlphaG Fr= 1--     -0.0408                 0.0014                -0.0464
 Gamma2 Fr= 1--     -0.0760                -0.1768                -0.6563
 Delta2 Fr= 1--     -0.0769                 0.0941                -0.0310
 Raman1 Fr= 1--      20.835                  2.327                 16.919
 ROA1   Fr= 1--      -9.752                -13.963                -64.000
 CID1   Fr= 1--      -0.468                 -6.000                 -3.783
 Raman2 Fr= 1--       7.790                  0.442                  0.332
 ROA2   Fr= 1--      -1.208                 -4.996                -15.504
 CID2   Fr= 1--      -0.155                -11.298                -46.704
 Raman3 Fr= 1--      15.580                  0.884                  0.664
 ROA3   Fr= 1--      -9.752                -13.963                -64.000
 CID3   Fr= 1--      -0.626                -15.787                -96.393
 RC180  Fr= 1--       0.496                 -0.240                 -0.922
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.27  -0.09   0.15     0.06  -0.07  -0.02    -0.03  -0.07  -0.12
     2   6    -0.02  -0.05   0.08    -0.02   0.03   0.01     0.10   0.20   0.06
     3   6     0.24   0.03  -0.16     0.07   0.03  -0.01    -0.00   0.15  -0.04
     4   6     0.01  -0.00  -0.10    -0.00  -0.09  -0.03    -0.09  -0.18  -0.05
     5   6    -0.24   0.08  -0.13     0.11   0.03  -0.01     0.01   0.10   0.11
     6   6    -0.22  -0.04   0.17     0.10  -0.06  -0.07    -0.01  -0.13   0.05
     7   6    -0.03   0.02   0.04    -0.13   0.15   0.07     0.04   0.04   0.01
     8   6     0.02   0.01  -0.00    -0.03  -0.01  -0.00    -0.09  -0.03  -0.00
     9   6    -0.00  -0.01  -0.01    -0.00  -0.02  -0.07    -0.02  -0.01  -0.04
    10   6     0.01  -0.01   0.01     0.01  -0.06   0.04    -0.01  -0.04   0.03
    11   6     0.01   0.06  -0.07    -0.13  -0.02   0.12     0.00   0.00  -0.00
    12   6     0.00   0.09   0.03    -0.14   0.01  -0.01     0.24   0.06   0.00
    13   8    -0.01  -0.02   0.10     0.05  -0.03   0.05    -0.07  -0.01  -0.01
    14   8    -0.01  -0.03  -0.06     0.04   0.04  -0.08    -0.07  -0.03   0.02
    15   1     0.23  -0.01   0.21     0.12   0.08  -0.01    -0.15  -0.36  -0.15
    16   1     0.14   0.14  -0.17     0.14   0.28   0.09     0.08   0.22   0.01
    17   1    -0.18   0.17  -0.14     0.18   0.29   0.04     0.10   0.19   0.09
    18   1    -0.10   0.00   0.24     0.19   0.07   0.01    -0.12  -0.39  -0.07
    19   1     0.03  -0.11   0.09    -0.15   0.16   0.06    -0.00   0.04  -0.00
    20   1    -0.06   0.09   0.16    -0.13   0.14   0.04     0.01   0.03   0.02
    21   1     0.01  -0.04  -0.01    -0.07  -0.17  -0.05    -0.06   0.05   0.02
    22   1    -0.01  -0.02  -0.04    -0.01  -0.04  -0.10     0.03   0.05   0.10
    23   1    -0.03   0.00   0.03    -0.03  -0.01  -0.06     0.07  -0.03  -0.19
    24   1    -0.02  -0.01  -0.01    -0.01  -0.02  -0.07     0.06   0.01  -0.05
    25   1    -0.02  -0.01   0.01     0.00  -0.06   0.04     0.07  -0.02   0.03
    26   1    -0.02   0.02  -0.01    -0.01  -0.04   0.04     0.10  -0.14   0.11
    27   1    -0.00  -0.05   0.04     0.00  -0.09   0.05     0.02   0.10  -0.06
    28   1    -0.01   0.03  -0.09    -0.09   0.06   0.16    -0.05   0.05   0.00
    29   6    -0.03  -0.03  -0.05    -0.02   0.00   0.02    -0.00  -0.01  -0.01
    30   1     0.17   0.04  -0.33    -0.35  -0.04  -0.18     0.31   0.07   0.04
    31   1    -0.11  -0.16  -0.11     0.21   0.19   0.13     0.03  -0.05  -0.01
    32   1    -0.02  -0.07   0.02    -0.07  -0.09  -0.24    -0.02  -0.11  -0.05
    33   1     0.03  -0.01   0.07     0.05   0.01  -0.12     0.11   0.03   0.06
                     28                     29                     30
                      A                      A                      A
 Frequencies --    784.9324               821.1100               828.5640
 Red. masses --      3.0882                 3.4242                 2.7460
 Frc consts  --      1.1210                 1.3602                 1.1107
 IR Inten    --      1.9497                 5.4405                 1.3701
 RamAct Fr= 1--     31.3172                 5.2959                 5.4278
  Dep-P Fr= 1--      0.0201                 0.1335                 0.1917
  Dep-U Fr= 1--      0.0393                 0.2356                 0.3218
 Alpha2 Fr= 1--      0.6640                 0.0853                 0.0753
 Beta2  Fr= 1--      0.2053                 0.2079                 0.2911
 AlphaG Fr= 1--      0.0174                 0.0167                 0.0854
 Gamma2 Fr= 1--     -1.5324                -0.4205                 1.4765
 Delta2 Fr= 1--      0.0108                 0.1198                 0.2013
 Raman1 Fr= 1--     125.269                 21.184                 21.711
 ROA1   Fr= 1--    -146.764                -36.531                148.187
 CID1   Fr= 1--      -1.172                 -1.724                  6.825
 Raman2 Fr= 1--       2.464                  2.495                  3.493
 ROA2   Fr= 1--     -36.865                -11.050                 33.825
 CID2   Fr= 1--     -14.964                 -4.429                  9.683
 Raman3 Fr= 1--       4.927                  4.990                  6.987
 ROA3   Fr= 1--    -146.764                -36.531                148.187
 CID3   Fr= 1--     -29.786                 -7.321                 21.210
 RC180  Fr= 1--      -0.921                 -0.529                 -0.356
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.04  -0.05     0.01   0.07   0.03    -0.05   0.01   0.05
     2   6     0.04  -0.09  -0.04    -0.03  -0.15  -0.04     0.01   0.00   0.00
     3   6    -0.01  -0.04  -0.08     0.01   0.01  -0.02    -0.06   0.02   0.08
     4   6    -0.03   0.11   0.04    -0.00   0.09   0.04     0.04  -0.04  -0.02
     5   6    -0.01  -0.08   0.05     0.03  -0.00  -0.03    -0.06   0.05  -0.04
     6   6    -0.01  -0.00   0.08     0.05   0.07  -0.01    -0.04   0.02  -0.04
     7   6     0.03   0.19   0.06    -0.06   0.04   0.03     0.15   0.04   0.00
     8   6    -0.11   0.01   0.02     0.01   0.03   0.01    -0.07   0.03   0.02
     9   6    -0.01  -0.04  -0.16     0.01   0.00  -0.03    -0.02  -0.02  -0.10
    10   6     0.02  -0.13   0.10     0.02  -0.01   0.02     0.00  -0.08   0.07
    11   6     0.01   0.06  -0.06    -0.06  -0.07   0.14     0.11  -0.13   0.02
    12   6     0.03  -0.05  -0.02     0.28   0.10   0.01    -0.09   0.05   0.04
    13   8    -0.00  -0.00  -0.06    -0.07  -0.03   0.03     0.01   0.03   0.09
    14   8     0.00  -0.03   0.08    -0.07   0.02  -0.06     0.00   0.06  -0.11
    15   1    -0.02   0.35   0.10     0.00  -0.06  -0.02    -0.08  -0.20  -0.02
    16   1     0.06   0.05  -0.02    -0.03  -0.43  -0.16    -0.17  -0.17  -0.02
    17   1     0.05  -0.01   0.04     0.02  -0.34  -0.17    -0.15  -0.06  -0.02
    18   1    -0.06   0.31   0.15     0.09  -0.03  -0.02    -0.06  -0.10  -0.08
    19   1     0.14   0.22   0.08    -0.02   0.11   0.03     0.22   0.10   0.00
    20   1     0.12   0.24   0.08     0.02   0.05  -0.01     0.23   0.08   0.00
    21   1    -0.12  -0.04   0.00    -0.02  -0.10  -0.04    -0.03   0.18   0.06
    22   1     0.03  -0.01  -0.02    -0.02  -0.05  -0.10     0.04   0.02   0.07
    23   1     0.06  -0.07  -0.24    -0.04   0.01   0.07     0.08  -0.06  -0.19
    24   1     0.07  -0.06  -0.23    -0.03  -0.04  -0.06     0.08  -0.05  -0.19
    25   1     0.10  -0.19   0.13    -0.02  -0.06   0.02     0.11  -0.15   0.10
    26   1     0.10  -0.20   0.13    -0.04   0.04  -0.04     0.12  -0.17   0.10
    27   1     0.03  -0.02   0.01    -0.00  -0.09   0.04     0.03   0.07  -0.05
    28   1    -0.02   0.02  -0.09    -0.06   0.08   0.20     0.17  -0.16   0.02
    29   6     0.01   0.03  -0.01    -0.09  -0.09  -0.04     0.03  -0.04   0.00
    30   1     0.03  -0.04   0.21     0.17   0.08  -0.09    -0.05   0.07  -0.28
    31   1    -0.11  -0.12  -0.08     0.16   0.14   0.07    -0.01   0.13   0.05
    32   1     0.04   0.02   0.13    -0.14  -0.15  -0.32     0.06   0.20   0.08
    33   1     0.04   0.04   0.14    -0.03  -0.08  -0.23    -0.23  -0.13  -0.23
                     31                     32                     33
                      A                      A                      A
 Frequencies --    854.5503               855.6650               869.2262
 Red. masses --      1.2587                 3.3831                 1.9374
 Frc consts  --      0.5416                 1.4594                 0.8624
 IR Inten    --      0.1947                 4.2752                27.3025
 RamAct Fr= 1--      1.1546                10.2668                 2.8163
  Dep-P Fr= 1--      0.5822                 0.1221                 0.0546
  Dep-U Fr= 1--      0.7359                 0.2176                 0.1036
 Alpha2 Fr= 1--      0.0036                 0.1702                 0.0550
 Beta2  Fr= 1--      0.1416                 0.3724                 0.0486
 AlphaG Fr= 1--     -0.0211                -0.1225                 0.0291
 Gamma2 Fr= 1--      0.0849                 1.1099                -0.0131
 Delta2 Fr= 1--      0.0983                 0.0232                 0.0692
 Raman1 Fr= 1--       4.618                 41.067                 11.265
 ROA1   Fr= 1--      11.299                107.292                  0.953
 CID1   Fr= 1--       2.447                  2.613                  0.085
 Raman2 Fr= 1--       1.699                  4.468                  0.584
 ROA2   Fr= 1--       1.251                 26.453                 -0.869
 CID2   Fr= 1--       0.736                  5.920                 -1.489
 Raman3 Fr= 1--       3.399                  8.937                  1.167
 ROA3   Fr= 1--      11.299                107.292                  0.953
 CID3   Fr= 1--       3.325                 12.006                  0.817
 RC180  Fr= 1--       0.472                 -0.565                 -0.793
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.07  -0.02    -0.05   0.06  -0.15    -0.03  -0.06  -0.02
     2   6    -0.00   0.01   0.00     0.03  -0.05  -0.02     0.02   0.10   0.04
     3   6    -0.01  -0.08  -0.02     0.01   0.05  -0.16    -0.02  -0.07  -0.01
     4   6     0.00   0.01   0.01    -0.04   0.01   0.01     0.03   0.12   0.04
     5   6     0.00   0.07   0.01     0.05  -0.05   0.17    -0.02  -0.08  -0.04
     6   6     0.00   0.07   0.01    -0.01  -0.04   0.16    -0.01  -0.07  -0.03
     7   6     0.01  -0.01   0.01    -0.13   0.01   0.02     0.05  -0.03  -0.00
     8   6    -0.00  -0.00   0.00     0.03  -0.02  -0.01    -0.00  -0.04  -0.01
     9   6     0.00  -0.00  -0.00     0.02   0.01   0.05    -0.01  -0.01   0.03
    10   6    -0.00   0.00   0.00     0.01   0.04  -0.04    -0.02   0.02  -0.03
    11   6     0.00  -0.01   0.01     0.14  -0.12  -0.03     0.03  -0.04   0.06
    12   6     0.01   0.01  -0.00    -0.06   0.04   0.04     0.07   0.03   0.01
    13   8    -0.00  -0.00   0.00     0.00   0.03   0.06    -0.02  -0.00   0.02
    14   8    -0.00   0.00  -0.01     0.00   0.05  -0.08    -0.02   0.02  -0.04
    15   1     0.05   0.45   0.16    -0.16   0.11  -0.06     0.01   0.36   0.13
    16   1     0.05   0.51   0.17     0.14  -0.02  -0.13     0.01   0.35   0.12
    17   1    -0.07  -0.45  -0.16     0.15  -0.14   0.06     0.02   0.45   0.15
    18   1    -0.05  -0.43  -0.15    -0.14  -0.01   0.12     0.05   0.49   0.15
    19   1    -0.00   0.03  -0.00    -0.16  -0.00   0.02    -0.03  -0.03  -0.02
    20   1     0.02  -0.03  -0.02    -0.16  -0.01   0.01    -0.01  -0.08  -0.04
    21   1     0.00   0.02  -0.00    -0.02  -0.20  -0.07     0.02   0.07   0.01
    22   1     0.00   0.00  -0.01    -0.03  -0.03  -0.09     0.01   0.04   0.06
    23   1    -0.00  -0.00  -0.00    -0.07   0.04   0.13     0.02  -0.00  -0.06
    24   1     0.00  -0.00  -0.00    -0.06   0.02   0.10     0.02   0.04   0.08
    25   1     0.01  -0.00   0.00    -0.08   0.08  -0.05     0.01   0.09  -0.04
    26   1     0.01  -0.01   0.01    -0.08   0.11  -0.06     0.04  -0.04   0.05
    27   1     0.00   0.02  -0.02    -0.01  -0.08   0.05     0.00   0.09  -0.03
    28   1     0.00  -0.01   0.01     0.20  -0.21  -0.04     0.06  -0.01   0.07
    29   6    -0.00  -0.01  -0.00     0.06  -0.04   0.00    -0.04  -0.06  -0.04
    30   1    -0.00   0.00  -0.01    -0.02   0.06  -0.22     0.03   0.03  -0.05
    31   1     0.00   0.01   0.00    -0.11   0.08   0.01     0.01   0.07   0.02
    32   1    -0.00   0.01  -0.02     0.13   0.28   0.25    -0.03   0.04  -0.06
    33   1    -0.02  -0.02  -0.03    -0.28  -0.14  -0.18    -0.14  -0.10  -0.19
                     34                     35                     36
                      A                      A                      A
 Frequencies --    900.7205               942.8584               959.9284
 Red. masses --      1.5476                 1.2135                 1.6132
 Frc consts  --      0.7397                 0.6356                 0.8758
 IR Inten    --      0.3037                 0.2999                 0.0102
 RamAct Fr= 1--      0.3982                 0.3522                 5.6117
  Dep-P Fr= 1--      0.6950                 0.7498                 0.7488
  Dep-U Fr= 1--      0.8201                 0.8570                 0.8564
 Alpha2 Fr= 1--      0.0004                 0.0000                 0.0001
 Beta2  Fr= 1--      0.0544                 0.0503                 0.8010
 AlphaG Fr= 1--     -0.0017                -0.0001                 0.0028
 Gamma2 Fr= 1--      0.1321                -0.0367                -0.3430
 Delta2 Fr= 1--      0.1132                -0.0139                -0.9965
 Raman1 Fr= 1--       1.593                  1.409                 22.447
 ROA1   Fr= 1--      16.300                 -3.965                -64.818
 CID1   Fr= 1--      10.233                 -2.814                 -2.888
 Raman2 Fr= 1--       0.653                  0.604                  9.612
 ROA2   Fr= 1--       2.264                 -0.769                 -0.261
 CID2   Fr= 1--       3.466                 -1.273                 -0.027
 Raman3 Fr= 1--       1.306                  1.208                 19.223
 ROA3   Fr= 1--      16.300                 -3.965                -64.818
 CID3   Fr= 1--      12.478                 -3.283                 -3.372
 RC180  Fr= 1--       0.640                  0.714                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02  -0.03    -0.00  -0.00   0.01     0.01   0.09   0.02
     2   6     0.00  -0.01   0.01    -0.00   0.00  -0.01    -0.01   0.00   0.00
     3   6     0.03   0.01  -0.01    -0.01  -0.00   0.00    -0.00  -0.09  -0.05
     4   6     0.00  -0.01   0.01    -0.00   0.00  -0.01     0.01   0.03   0.01
     5   6    -0.03   0.00  -0.01     0.01  -0.00   0.00     0.01  -0.03   0.01
     6   6    -0.01   0.01  -0.03     0.00  -0.01   0.01     0.00   0.00   0.02
     7   6     0.02  -0.06   0.17    -0.01   0.02  -0.07    -0.05  -0.09  -0.02
     8   6     0.01  -0.02   0.05     0.00  -0.01   0.02     0.01   0.10   0.03
     9   6     0.05  -0.01  -0.05     0.05  -0.06   0.01     0.01   0.04  -0.07
    10   6    -0.05   0.04  -0.02    -0.04   0.04   0.06     0.02  -0.01   0.07
    11   6    -0.00   0.01  -0.01     0.00  -0.00   0.00     0.01   0.01   0.01
    12   6    -0.01  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    13   8     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    14   8     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    15   1     0.02  -0.02  -0.06    -0.01  -0.01   0.02    -0.07  -0.52  -0.19
    16   1     0.07  -0.06  -0.01    -0.03   0.01   0.00     0.08   0.54   0.16
    17   1    -0.06   0.03   0.03     0.03  -0.01  -0.01     0.04   0.16   0.07
    18   1    -0.03   0.02  -0.04     0.01  -0.00   0.02    -0.01  -0.08  -0.01
    19   1    -0.17   0.49  -0.00     0.08  -0.19   0.01    -0.06  -0.07  -0.03
    20   1     0.13  -0.37  -0.34    -0.07   0.14   0.14    -0.05  -0.08  -0.02
    21   1    -0.02   0.07  -0.21    -0.03   0.10  -0.27     0.01   0.11   0.04
    22   1    -0.05  -0.10  -0.33    -0.02   0.05  -0.37    -0.01  -0.08  -0.00
    23   1    -0.11   0.04   0.14    -0.11   0.10  -0.15     0.01  -0.02   0.15
    24   1    -0.13  -0.03   0.01    -0.13   0.18   0.40     0.01  -0.12  -0.28
    25   1     0.13   0.02   0.00     0.19  -0.38   0.17     0.06  -0.25   0.13
    26   1     0.13  -0.11   0.06     0.08   0.02  -0.20    -0.02   0.07  -0.12
    27   1    -0.01   0.28  -0.20    -0.05   0.19  -0.32    -0.01  -0.06  -0.04
    28   1    -0.03  -0.01  -0.02     0.01   0.01   0.01     0.04   0.03   0.02
    29   6     0.00   0.01  -0.00    -0.00  -0.00   0.00    -0.01  -0.02  -0.01
    30   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.01
    31   1    -0.03  -0.03  -0.02     0.01   0.01   0.01     0.00   0.02   0.00
    32   1     0.01   0.00   0.03    -0.00  -0.00  -0.01    -0.01   0.00  -0.03
    33   1     0.01   0.01   0.03    -0.00  -0.00  -0.01    -0.03  -0.03  -0.05
                     37                     38                     39
                      A                      A                      A
 Frequencies --    969.3998               973.7083               978.8127
 Red. masses --      1.5415                 1.5742                 1.4959
 Frc consts  --      0.8535                 0.8794                 0.8444
 IR Inten    --      0.1208                 0.0218                 0.0794
 RamAct Fr= 1--      2.3109                 2.4355                 0.8291
  Dep-P Fr= 1--      0.7331                 0.7480                 0.6097
  Dep-U Fr= 1--      0.8460                 0.8558                 0.7576
 Alpha2 Fr= 1--      0.0007                 0.0001                 0.0021
 Beta2  Fr= 1--      0.3258                 0.3474                 0.1047
 AlphaG Fr= 1--      0.0139                -0.0004                -0.0005
 Gamma2 Fr= 1--     -1.6443                -0.0639                 1.4132
 Delta2 Fr= 1--      0.5767                 0.0172                 0.1650
 Raman1 Fr= 1--       9.243                  9.742                  3.316
 ROA1   Fr= 1--    -139.401                 -5.587                140.948
 CID1   Fr= 1--     -15.081                 -0.573                 42.499
 Raman2 Fr= 1--       3.910                  4.169                  1.256
 ROA2   Fr= 1--     -44.077                 -1.672                 32.597
 CID2   Fr= 1--     -11.273                 -0.401                 25.949
 Raman3 Fr= 1--       7.820                  8.337                  2.512
 ROA3   Fr= 1--    -139.401                 -5.587                140.948
 CID3   Fr= 1--     -17.827                 -0.670                 56.101
 RC180  Fr= 1--       0.692                  0.712                  0.515
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.09  -0.04    -0.00  -0.01   0.00     0.00  -0.03  -0.01
     2   6    -0.01   0.03   0.01    -0.00   0.01  -0.00    -0.01   0.04   0.02
     3   6     0.02   0.07   0.01    -0.00   0.01   0.00     0.01   0.02  -0.00
     4   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.01  -0.02  -0.00
     5   6     0.00  -0.08  -0.01     0.01  -0.00   0.00     0.02   0.09   0.04
     6   6     0.01   0.06   0.03     0.00  -0.00   0.01    -0.01  -0.10  -0.04
     7   6    -0.04  -0.08  -0.02    -0.01   0.01  -0.05    -0.02  -0.07  -0.02
     8   6     0.01   0.08   0.03    -0.01   0.04  -0.10     0.01   0.06   0.03
     9   6    -0.00   0.02  -0.06     0.04   0.09   0.08    -0.00   0.03  -0.05
    10   6     0.02   0.00   0.06    -0.03  -0.13   0.03     0.01   0.00   0.05
    11   6     0.00   0.01  -0.00     0.00   0.00  -0.00    -0.02  -0.02  -0.01
    12   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    13   8     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    14   8     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    15   1     0.05   0.49   0.16     0.00   0.05   0.03     0.03   0.18   0.06
    16   1    -0.02  -0.37  -0.13    -0.02  -0.03  -0.01    -0.00  -0.13  -0.05
    17   1     0.06   0.38   0.15     0.02   0.01  -0.00    -0.04  -0.53  -0.19
    18   1    -0.04  -0.36  -0.11     0.00  -0.01   0.01     0.08   0.60   0.19
    19   1    -0.07  -0.08  -0.03     0.01  -0.12  -0.02    -0.08  -0.09  -0.03
    20   1    -0.07  -0.09  -0.02    -0.02   0.09   0.06    -0.08  -0.10  -0.03
    21   1     0.02   0.12   0.07    -0.03   0.14  -0.34     0.03   0.14   0.06
    22   1     0.01  -0.04   0.03    -0.07  -0.15  -0.10     0.00  -0.04   0.04
    23   1     0.02  -0.03   0.07    -0.13   0.08   0.55     0.02  -0.03   0.07
    24   1     0.04  -0.09  -0.22    -0.13  -0.11  -0.09     0.03  -0.08  -0.20
    25   1     0.04  -0.24   0.12     0.13   0.11  -0.01     0.06  -0.19   0.09
    26   1    -0.02   0.08  -0.14     0.22  -0.38   0.33    -0.01   0.05  -0.10
    27   1    -0.01  -0.05  -0.05     0.05   0.18  -0.01    -0.01  -0.01  -0.05
    28   1     0.01   0.02   0.01     0.01   0.01   0.00    -0.04  -0.04  -0.02
    29   6    -0.01  -0.00  -0.00    -0.00  -0.00   0.00     0.01   0.02   0.01
    30   1     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.01
    31   1     0.01   0.00   0.00     0.01   0.01   0.01    -0.01  -0.02  -0.00
    32   1    -0.01  -0.01  -0.01    -0.00  -0.00  -0.01     0.02   0.00   0.03
    33   1     0.00   0.00  -0.01     0.00  -0.00  -0.01     0.02   0.02   0.05
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1001.9003              1045.4931              1059.8352
 Red. masses --      1.9434                 2.8868                 1.7510
 Frc consts  --      1.1494                 1.8591                 1.1588
 IR Inten    --     26.4558                18.1609                62.6669
 RamAct Fr= 1--      7.4650                 0.3597                 4.5606
  Dep-P Fr= 1--      0.3209                 0.2018                 0.1850
  Dep-U Fr= 1--      0.4858                 0.3358                 0.3123
 Alpha2 Fr= 1--      0.0719                 0.0049                 0.0644
 Beta2  Fr= 1--      0.6045                 0.0201                 0.2374
 AlphaG Fr= 1--      0.1254                 0.0054                 0.0599
 Gamma2 Fr= 1--     -0.0016                 0.0192                -0.6035
 Delta2 Fr= 1--     -0.6434                -0.1351                -1.1615
 Raman1 Fr= 1--      29.860                  1.439                 18.242
 ROA1   Fr= 1--     -20.745                 -2.480                -95.105
 CID1   Fr= 1--      -0.695                 -1.724                 -5.213
 Raman2 Fr= 1--       7.254                  0.242                  2.848
 ROA2   Fr= 1--       5.108                  1.541                 -5.193
 CID2   Fr= 1--       0.704                  6.382                 -1.823
 Raman3 Fr= 1--      14.507                  0.483                  5.697
 ROA3   Fr= 1--     -20.745                 -2.480                -95.105
 CID3   Fr= 1--      -1.430                 -5.135                -16.694
 RC180  Fr= 1--      -0.028                 -0.328                 -0.375
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.01  -0.03    -0.06   0.07  -0.19     0.02   0.01  -0.03
     2   6    -0.00   0.00  -0.01     0.03  -0.01  -0.01     0.02  -0.00   0.01
     3   6     0.00   0.02   0.01    -0.01  -0.06   0.18    -0.01  -0.02   0.05
     4   6     0.05  -0.04  -0.03     0.06  -0.00  -0.01    -0.06  -0.01   0.02
     5   6     0.00   0.02   0.04    -0.04   0.06  -0.17    -0.02   0.03  -0.08
     6   6    -0.04  -0.02   0.04    -0.02  -0.07   0.20     0.02  -0.01   0.01
     7   6     0.01  -0.00   0.01    -0.01  -0.00   0.00    -0.01  -0.00   0.00
     8   6     0.00  -0.01   0.01    -0.00   0.01   0.00    -0.01   0.00  -0.01
     9   6    -0.00  -0.00  -0.01     0.00   0.00  -0.00     0.00   0.00   0.00
    10   6    -0.00   0.00  -0.01     0.00   0.00   0.00     0.01   0.00   0.01
    11   6     0.10   0.14   0.01     0.02  -0.00   0.03    -0.07  -0.00  -0.04
    12   6    -0.07   0.02  -0.06    -0.01  -0.04   0.03     0.01   0.08  -0.07
    13   8     0.02  -0.02  -0.02     0.00   0.01   0.01    -0.00  -0.01  -0.01
    14   8     0.02  -0.04   0.08    -0.00   0.02  -0.05     0.00  -0.04   0.10
    15   1    -0.01   0.04  -0.02     0.18   0.11  -0.36     0.11   0.02  -0.09
    16   1    -0.03  -0.09  -0.03     0.27  -0.13   0.28     0.11  -0.05   0.10
    17   1    -0.03  -0.15  -0.00     0.18   0.06  -0.34     0.10   0.07  -0.16
    18   1    -0.09   0.06   0.05     0.25  -0.11   0.31     0.17  -0.05   0.06
    19   1     0.02   0.03   0.00    -0.04  -0.01  -0.00    -0.04  -0.01  -0.00
    20   1    -0.01  -0.03  -0.01    -0.04  -0.01   0.00     0.02   0.01  -0.00
    21   1     0.01   0.01   0.02    -0.01  -0.02  -0.00    -0.01  -0.03  -0.02
    22   1     0.00   0.00   0.00    -0.00  -0.01  -0.00    -0.00  -0.01  -0.00
    23   1     0.01  -0.00  -0.01    -0.00   0.00   0.02    -0.01   0.00   0.02
    24   1     0.00  -0.00  -0.01    -0.00  -0.01  -0.02    -0.01  -0.00   0.00
    25   1    -0.00   0.02  -0.01    -0.00  -0.02   0.01    -0.00  -0.03   0.01
    26   1     0.00  -0.01   0.01    -0.01   0.01  -0.01    -0.01   0.02  -0.02
    27   1     0.00   0.01   0.00    -0.00  -0.01  -0.00    -0.00  -0.03   0.00
    28   1     0.36   0.51   0.19     0.04  -0.12  -0.01    -0.31   0.24  -0.00
    29   6    -0.09  -0.10  -0.02    -0.05   0.04  -0.02     0.11  -0.06   0.03
    30   1     0.02  -0.02  -0.04    -0.00  -0.00   0.09     0.01   0.00  -0.19
    31   1     0.19   0.23   0.13     0.03  -0.12  -0.05    -0.13   0.20   0.07
    32   1    -0.15  -0.06  -0.38    -0.08  -0.19  -0.10     0.19   0.41   0.30
    33   1    -0.09  -0.12  -0.38     0.17   0.10   0.17    -0.37  -0.21  -0.29
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1087.9393              1107.8531              1110.1956
 Red. masses --      1.9619                 1.9696                 1.4937
 Frc consts  --      1.3682                 1.4242                 1.0847
 IR Inten    --      2.1936                 4.3877                 1.0484
 RamAct Fr= 1--      4.2719                 5.0955                 4.7072
  Dep-P Fr= 1--      0.6429                 0.1909                 0.2151
  Dep-U Fr= 1--      0.7827                 0.3206                 0.3541
 Alpha2 Fr= 1--      0.0082                 0.0709                 0.0614
 Beta2  Fr= 1--      0.5573                 0.2722                 0.2778
 AlphaG Fr= 1--     -0.0365                -0.0837                -0.0046
 Gamma2 Fr= 1--      0.4999                -1.8641                 0.0906
 Delta2 Fr= 1--      1.5854                -0.3107                 0.0984
 Raman1 Fr= 1--      17.088                 20.382                 18.829
 ROA1   Fr= 1--      98.725               -188.899                 11.847
 CID1   Fr= 1--       5.778                 -9.268                  0.629
 Raman2 Fr= 1--       6.687                  3.267                  3.334
 ROA2   Fr= 1--      -0.685                -42.253                  1.388
 CID2   Fr= 1--      -0.102                -12.934                  0.416
 Raman3 Fr= 1--      13.374                  6.533                  6.667
 ROA3   Fr= 1--      98.725               -188.899                 11.847
 CID3   Fr= 1--       7.382                -28.913                  1.777
 RC180  Fr= 1--       0.565                 -0.359                 -0.292
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.02  -0.05    -0.01  -0.01   0.03    -0.01   0.02  -0.00
     2   6     0.01  -0.02   0.07     0.01   0.02  -0.02    -0.07  -0.04  -0.01
     3   6     0.03   0.02  -0.05    -0.02   0.01  -0.00     0.02   0.01  -0.02
     4   6     0.02  -0.05   0.04    -0.01  -0.03   0.00     0.00  -0.01   0.00
     5   6    -0.03   0.02  -0.02     0.01   0.01  -0.01     0.03  -0.01   0.01
     6   6     0.02   0.01  -0.06     0.02  -0.01   0.01     0.00   0.01   0.02
     7   6     0.01  -0.01   0.04    -0.00   0.01  -0.06    -0.02   0.04   0.00
     8   6    -0.01   0.04  -0.12    -0.02  -0.04   0.11     0.14   0.02   0.01
     9   6    -0.03  -0.02   0.06     0.04   0.03  -0.05    -0.06  -0.03  -0.01
    10   6     0.04  -0.02   0.05    -0.03   0.02  -0.04    -0.08  -0.03  -0.02
    11   6     0.05   0.07   0.13     0.04   0.08   0.17    -0.01   0.01   0.03
    12   6    -0.03  -0.01  -0.01    -0.02  -0.01  -0.01    -0.00   0.00  -0.01
    13   8     0.01  -0.01  -0.01     0.01  -0.01  -0.00     0.00  -0.00  -0.00
    14   8     0.00  -0.00  -0.00     0.00   0.00  -0.01     0.00  -0.00   0.00
    15   1    -0.18  -0.01   0.04    -0.09  -0.00   0.10     0.02  -0.04  -0.05
    16   1     0.18  -0.06  -0.01    -0.10  -0.02  -0.05     0.05  -0.01  -0.02
    17   1    -0.21  -0.05   0.08     0.06  -0.01  -0.06     0.06  -0.00  -0.01
    18   1     0.12   0.01  -0.01     0.08  -0.02   0.04     0.08  -0.08   0.03
    19   1    -0.42  -0.08  -0.03     0.41   0.04   0.02    -0.16  -0.10   0.01
    20   1     0.42   0.12  -0.05    -0.31  -0.03   0.08    -0.27  -0.10  -0.01
    21   1    -0.02   0.06  -0.17    -0.03  -0.16   0.14     0.26   0.48   0.17
    22   1     0.01   0.10   0.12    -0.02  -0.12  -0.16     0.04   0.14   0.22
    23   1     0.01   0.01  -0.12    -0.04   0.02   0.17     0.13  -0.09  -0.29
    24   1     0.03   0.09   0.17    -0.06  -0.09  -0.15     0.15   0.06   0.01
    25   1    -0.00  -0.17   0.08    -0.02   0.13  -0.06     0.15   0.11  -0.02
    26   1    -0.03   0.07  -0.09    -0.00  -0.01   0.05     0.19  -0.26   0.17
    27   1     0.00  -0.16   0.04    -0.01   0.09  -0.01     0.01   0.29  -0.10
    28   1    -0.13   0.07   0.09    -0.15   0.05   0.12    -0.06   0.01   0.02
    29   6    -0.00  -0.02  -0.10     0.02  -0.02  -0.13     0.01  -0.00  -0.02
    30   1     0.00  -0.01   0.07     0.00  -0.02   0.12    -0.00  -0.00   0.00
    31   1    -0.24  -0.21  -0.21    -0.33  -0.24  -0.26    -0.06  -0.03  -0.04
    32   1     0.04   0.00   0.15     0.09   0.06   0.26     0.02   0.02   0.06
    33   1    -0.08  -0.03   0.08    -0.16  -0.06   0.10    -0.03  -0.01   0.01
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1151.4873              1187.0860              1203.3838
 Red. masses --      1.4078                 2.0614                 2.0079
 Frc consts  --      1.0998                 1.7115                 1.7132
 IR Inten    --      0.3798               139.2710                 2.0065
 RamAct Fr= 1--      2.7144                 6.3431                 7.8049
  Dep-P Fr= 1--      0.1720                 0.3044                 0.2458
  Dep-U Fr= 1--      0.2935                 0.4667                 0.3946
 Alpha2 Fr= 1--      0.0397                 0.0642                 0.0936
 Beta2  Fr= 1--      0.1328                 0.4934                 0.5133
 AlphaG Fr= 1--     -0.0131                -0.0757                 0.0360
 Gamma2 Fr= 1--     -1.3575                 0.8368                 0.1336
 Delta2 Fr= 1--     -0.7429                 0.5514                -0.6532
 Raman1 Fr= 1--      10.857                 25.372                 31.219
 ROA1   Fr= 1--    -154.089                 97.975                 -8.073
 CID1   Fr= 1--     -14.192                  3.861                 -0.259
 Raman2 Fr= 1--       1.593                  5.920                  6.160
 ROA2   Fr= 1--     -26.636                 15.671                  8.433
 CID2   Fr= 1--     -16.717                  2.647                  1.369
 Raman3 Fr= 1--       3.187                 11.841                 12.319
 ROA3   Fr= 1--    -154.089                 97.975                 -8.073
 CID3   Fr= 1--     -48.354                  8.274                 -0.655
 RC180  Fr= 1--      -0.413                 -0.067                 -0.211
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.08  -0.01   0.01     0.01  -0.01   0.02    -0.02  -0.00  -0.01
     2   6     0.00   0.01  -0.02     0.02  -0.01  -0.01    -0.07   0.03   0.01
     3   6    -0.07   0.00   0.03     0.01  -0.01   0.02     0.02   0.00  -0.02
     4   6    -0.03   0.00  -0.03    -0.09  -0.01  -0.01     0.02  -0.00  -0.00
     5   6     0.07  -0.01   0.01    -0.04   0.01   0.00     0.03  -0.01   0.01
     6   6    -0.06   0.00   0.02     0.04   0.01  -0.03    -0.02  -0.01   0.01
     7   6    -0.00  -0.01   0.04    -0.01   0.01   0.00    -0.01  -0.07  -0.02
     8   6     0.00   0.02  -0.05     0.01  -0.00  -0.00    -0.09   0.18   0.07
     9   6    -0.02  -0.01   0.02    -0.01   0.00   0.00     0.07  -0.10  -0.01
    10   6     0.02  -0.00   0.02    -0.01   0.00   0.00     0.07  -0.08  -0.07
    11   6     0.01   0.03   0.05    -0.03   0.12  -0.07    -0.02   0.01  -0.00
    12   6     0.00  -0.02   0.01     0.04  -0.10   0.10     0.01  -0.01   0.01
    13   8     0.00   0.00   0.01    -0.01   0.04   0.05    -0.00   0.00   0.01
    14   8    -0.00   0.00  -0.03     0.00  -0.00  -0.14     0.00  -0.00  -0.01
    15   1     0.45   0.03  -0.24    -0.04  -0.02   0.06     0.05   0.03  -0.05
    16   1    -0.41   0.06  -0.10     0.25  -0.09   0.12     0.03   0.00  -0.02
    17   1     0.40   0.03  -0.22    -0.07  -0.03   0.00     0.05  -0.00  -0.00
    18   1    -0.43   0.08  -0.13     0.12  -0.02   0.00     0.05  -0.00   0.05
    19   1    -0.13   0.04   0.00    -0.03  -0.01   0.00     0.08   0.03  -0.02
    20   1     0.10  -0.03  -0.05    -0.03  -0.01  -0.00     0.08   0.01   0.02
    21   1    -0.00   0.04  -0.09     0.01  -0.01  -0.00    -0.04   0.35   0.12
    22   1     0.01   0.04   0.06     0.00   0.00   0.03     0.02   0.08  -0.39
    23   1     0.01  -0.01  -0.05     0.01  -0.01  -0.00    -0.14   0.11  -0.20
    24   1     0.02   0.03   0.05     0.01  -0.00  -0.01    -0.10   0.11   0.33
    25   1    -0.00  -0.06   0.03     0.01  -0.01   0.01    -0.16   0.28  -0.16
    26   1    -0.01   0.02  -0.02     0.01  -0.01  -0.01    -0.09  -0.05   0.25
    27   1     0.00  -0.05   0.01    -0.00   0.02  -0.02     0.10  -0.18   0.35
    28   1     0.03   0.00   0.04     0.19   0.13  -0.02    -0.05   0.02  -0.01
    29   6     0.01  -0.01  -0.04     0.03  -0.07   0.01     0.01  -0.01   0.00
    30   1     0.00  -0.02   0.13     0.02  -0.11   0.75     0.00  -0.01   0.08
    31   1    -0.09  -0.04  -0.06    -0.01   0.19   0.09    -0.01   0.02   0.01
    32   1     0.04   0.04   0.09     0.05   0.22   0.02     0.01   0.03   0.01
    33   1    -0.06  -0.03   0.01    -0.14  -0.12  -0.19    -0.03  -0.02  -0.02
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1214.7137              1223.2043              1237.4072
 Red. masses --      1.3546                 1.9418                 2.4938
 Frc consts  --      1.1776                 1.7118                 2.2498
 IR Inten    --      4.8896                 8.7669                 3.8402
 RamAct Fr= 1--     54.4463                34.1532                37.0426
  Dep-P Fr= 1--      0.1066                 0.2050                 0.1815
  Dep-U Fr= 1--      0.1927                 0.3403                 0.3072
 Alpha2 Fr= 1--      0.9379                 0.4577                 0.5281
 Beta2  Fr= 1--      1.7484                 1.9370                 1.8968
 AlphaG Fr= 1--      0.1600                 0.1189                -0.1129
 Gamma2 Fr= 1--     -5.3542                -0.8135                -0.2738
 Delta2 Fr= 1--      0.1163                 0.4122                 0.0780
 Raman1 Fr= 1--     217.785                136.613                148.170
 ROA1   Fr= 1--    -510.283                -64.901                -23.790
 CID1   Fr= 1--      -2.343                 -0.475                 -0.161
 Raman2 Fr= 1--      20.981                 23.244                 22.761
 ROA2   Fr= 1--    -129.432                -22.821                 -7.195
 CID2   Fr= 1--      -6.169                 -0.982                 -0.316
 Raman3 Fr= 1--      41.962                 46.487                 45.522
 ROA3   Fr= 1--    -510.283                -64.901                -23.790
 CID3   Fr= 1--     -12.161                 -1.396                 -0.523
 RC180  Fr= 1--      -0.615                 -0.319                 -0.386
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.02   0.05    -0.08   0.02  -0.02     0.05   0.00  -0.03
     2   6     0.04  -0.00  -0.01    -0.03  -0.00   0.01     0.29  -0.04  -0.02
     3   6     0.02  -0.02   0.04     0.06  -0.00  -0.02    -0.07  -0.01   0.05
     4   6    -0.12   0.01   0.00     0.20  -0.03  -0.00     0.06  -0.01   0.02
     5   6     0.01   0.01  -0.03     0.08   0.00  -0.03    -0.07   0.03  -0.06
     6   6    -0.01   0.02  -0.04    -0.10   0.00   0.03     0.03  -0.00  -0.01
     7   6    -0.02  -0.00   0.00     0.02   0.01  -0.00    -0.12   0.01   0.00
     8   6     0.00   0.03   0.01     0.00  -0.03  -0.00     0.02   0.08   0.05
     9   6     0.00  -0.01  -0.00    -0.00   0.01   0.00     0.01  -0.03  -0.01
    10   6     0.00  -0.01  -0.01    -0.01   0.01   0.01    -0.01  -0.03  -0.02
    11   6     0.06  -0.02   0.01    -0.10   0.01  -0.01     0.00  -0.00  -0.01
    12   6    -0.01   0.02  -0.01     0.01  -0.01   0.01    -0.00  -0.01   0.00
    13   8     0.00  -0.01  -0.01    -0.01   0.01   0.02    -0.00   0.00   0.00
    14   8    -0.00   0.00   0.02     0.00  -0.01  -0.03     0.00   0.00  -0.00
    15   1    -0.28  -0.05   0.25    -0.44  -0.03   0.23    -0.22  -0.03   0.18
    16   1     0.50  -0.13   0.24     0.09  -0.01  -0.02    -0.40   0.07  -0.07
    17   1     0.38   0.07  -0.30     0.25   0.02  -0.14    -0.33  -0.01   0.12
    18   1    -0.33   0.10  -0.18    -0.53   0.10  -0.13    -0.28   0.08  -0.14
    19   1    -0.04   0.00  -0.00     0.02   0.00  -0.00    -0.43  -0.16  -0.02
    20   1    -0.05  -0.01   0.01     0.05   0.03   0.01    -0.27  -0.03   0.04
    21   1     0.00   0.04   0.00     0.00  -0.04   0.01    -0.00  -0.03   0.10
    22   1     0.00   0.02  -0.02    -0.00  -0.02   0.03     0.01   0.04  -0.09
    23   1    -0.00   0.01  -0.04     0.01  -0.01   0.04    -0.01   0.01  -0.10
    24   1     0.00   0.02   0.03    -0.00  -0.02  -0.04     0.01   0.02   0.05
    25   1    -0.00   0.03  -0.01     0.01  -0.03   0.01     0.01   0.09  -0.04
    26   1     0.00  -0.02   0.04     0.01   0.01  -0.02     0.02  -0.09   0.11
    27   1     0.01  -0.00   0.03    -0.01   0.02  -0.04     0.02   0.06   0.06
    28   1     0.23  -0.07   0.02    -0.42   0.12  -0.04    -0.15   0.05  -0.02
    29   6    -0.02   0.01  -0.02     0.02  -0.01   0.03    -0.00  -0.00   0.01
    30   1     0.00   0.02  -0.14     0.00  -0.03   0.19    -0.00  -0.00  -0.00
    31   1     0.02  -0.05  -0.03    -0.02   0.08   0.05     0.01   0.01   0.02
    32   1    -0.01  -0.05   0.01     0.02   0.06   0.01    -0.01  -0.01  -0.04
    33   1     0.05   0.03   0.05    -0.07  -0.04  -0.06     0.00  -0.00  -0.03
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1245.0210              1298.0220              1309.7962
 Red. masses --      1.3681                 1.9833                 1.5293
 Frc consts  --      1.2495                 1.9688                 1.5458
 IR Inten    --      1.1714                 0.7916                 8.6218
 RamAct Fr= 1--      6.3756                 5.3966                32.3565
  Dep-P Fr= 1--      0.7409                 0.1759                 0.2837
  Dep-U Fr= 1--      0.8512                 0.2992                 0.4420
 Alpha2 Fr= 1--      0.0010                 0.0781                 0.3482
 Beta2  Fr= 1--      0.9045                 0.2691                 2.3836
 AlphaG Fr= 1--      0.0166                 0.0627                -0.1347
 Gamma2 Fr= 1--      0.7537                 1.4015                -0.5265
 Delta2 Fr= 1--     -0.0692                -0.3615                 0.0082
 Raman1 Fr= 1--      25.503                 21.586                129.426
 ROA1   Fr= 1--      70.142                122.981                -50.283
 CID1   Fr= 1--       2.750                  5.697                 -0.389
 Raman2 Fr= 1--      10.854                  3.230                 28.604
 ROA2   Fr= 1--      18.643                 36.529                -12.701
 CID2   Fr= 1--       1.718                 11.311                 -0.444
 Raman3 Fr= 1--      21.707                  6.459                 57.207
 ROA3   Fr= 1--      70.142                122.981                -50.283
 CID3   Fr= 1--       3.231                 19.040                 -0.879
 RC180  Fr= 1--       0.702                 -0.402                 -0.116
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.01  -0.03     0.06   0.00  -0.03     0.01   0.00   0.00
     2   6    -0.02  -0.02   0.08    -0.01  -0.01   0.04    -0.01  -0.03  -0.01
     3   6    -0.02   0.01  -0.02    -0.04   0.02  -0.05    -0.00   0.00  -0.00
     4   6    -0.02  -0.01   0.03    -0.06  -0.03   0.17    -0.01  -0.00   0.01
     5   6     0.02   0.00  -0.01     0.02   0.01  -0.04     0.00   0.00  -0.00
     6   6    -0.02   0.02  -0.03    -0.04   0.02  -0.05     0.00   0.01  -0.00
     7   6     0.01   0.01  -0.04    -0.00  -0.00  -0.01     0.10   0.09   0.02
     8   6     0.01  -0.04   0.09     0.01   0.00  -0.00    -0.10  -0.10  -0.02
     9   6     0.05   0.02  -0.03    -0.01  -0.00   0.00     0.06   0.03   0.00
    10   6    -0.05   0.00  -0.02     0.01  -0.00   0.00     0.06   0.03   0.00
    11   6     0.02  -0.00  -0.01     0.15  -0.05  -0.05     0.01  -0.00  -0.00
    12   6    -0.00  -0.00   0.00    -0.03  -0.00  -0.01    -0.00   0.00  -0.00
    13   8     0.00   0.00   0.00     0.00   0.02   0.04     0.00   0.00   0.00
    14   8     0.00  -0.00  -0.00     0.01  -0.02  -0.02     0.00  -0.00  -0.00
    15   1     0.16   0.03  -0.13    -0.11  -0.02   0.09    -0.02  -0.03   0.01
    16   1     0.08  -0.01   0.01    -0.17   0.07  -0.10    -0.00  -0.00  -0.00
    17   1     0.03   0.00  -0.02     0.27   0.05  -0.22     0.02  -0.00  -0.01
    18   1    -0.07   0.02  -0.06     0.28  -0.06   0.08     0.00  -0.02  -0.01
    19   1    -0.37  -0.31  -0.05     0.18   0.08   0.01    -0.41  -0.27  -0.01
    20   1     0.46   0.32   0.08    -0.09  -0.04   0.00    -0.43  -0.25  -0.09
    21   1     0.05  -0.15   0.45    -0.01   0.02  -0.12     0.06   0.51   0.17
    22   1    -0.01  -0.11  -0.16     0.00   0.02   0.04    -0.02  -0.13  -0.13
    23   1    -0.02   0.02   0.11     0.01  -0.01  -0.02    -0.05   0.06   0.12
    24   1    -0.05  -0.06  -0.07     0.02   0.01  -0.00    -0.14  -0.07  -0.03
    25   1     0.04   0.08  -0.03    -0.00   0.00  -0.00    -0.14  -0.08   0.00
    26   1     0.03  -0.07   0.05    -0.01   0.01  -0.01    -0.07   0.12  -0.05
    27   1    -0.01   0.18  -0.07     0.00  -0.01   0.01    -0.00  -0.18   0.02
    28   1     0.02   0.01  -0.01    -0.57   0.31  -0.07    -0.02   0.01  -0.00
    29   6    -0.01   0.00   0.00    -0.06   0.01   0.03    -0.00   0.00   0.00
    30   1     0.00  -0.00   0.01     0.02  -0.04   0.22     0.00  -0.00   0.02
    31   1     0.02   0.01   0.01     0.18  -0.01   0.06     0.01  -0.00   0.00
    32   1    -0.01  -0.01  -0.02    -0.08  -0.09  -0.11    -0.00  -0.01  -0.00
    33   1     0.02   0.01  -0.00     0.15   0.06  -0.05     0.01   0.00  -0.00
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1341.0183              1346.2913              1353.3582
 Red. masses --      1.8195                 1.6865                 1.8595
 Frc consts  --      1.9278                 1.8010                 2.0067
 IR Inten    --      4.3376                18.1381                11.3203
 RamAct Fr= 1--      8.6287                 2.7684                 1.9323
  Dep-P Fr= 1--      0.5904                 0.6392                 0.7152
  Dep-U Fr= 1--      0.7424                 0.7799                 0.8340
 Alpha2 Fr= 1--      0.0257                 0.0055                 0.0012
 Beta2  Fr= 1--      1.0677                 0.3598                 0.2686
 AlphaG Fr= 1--      0.1034                 0.0081                -0.0036
 Gamma2 Fr= 1--     -1.0108                 4.6061                -1.4415
 Delta2 Fr= 1--      0.0342                 2.8040                -1.0685
 Raman1 Fr= 1--      34.515                 11.074                  7.729
 ROA1   Fr= 1--     -95.941                531.916               -172.574
 CID1   Fr= 1--      -2.780                 48.034                -22.327
 Raman2 Fr= 1--      12.813                  4.318                  3.223
 ROA2   Fr= 1--     -24.533                 88.115                -26.048
 CID2   Fr= 1--      -1.915                 20.406                 -8.082
 Raman3 Fr= 1--      25.625                  8.636                  6.446
 ROA3   Fr= 1--     -95.941                531.916               -172.574
 CID3   Fr= 1--      -3.744                 61.592                -26.773
 RC180  Fr= 1--       0.485                  0.560                  0.668
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.01   0.03     0.03   0.00  -0.02     0.03   0.01  -0.03
     2   6    -0.00   0.02  -0.05     0.00  -0.03   0.07     0.02  -0.05   0.13
     3   6     0.04  -0.02   0.02    -0.05   0.01  -0.02    -0.08   0.02  -0.03
     4   6    -0.00   0.04  -0.06     0.01  -0.01   0.02     0.01  -0.01   0.02
     5   6    -0.04  -0.01   0.03     0.05   0.01  -0.03     0.07   0.01  -0.05
     6   6     0.05  -0.01   0.02    -0.04   0.01  -0.01    -0.05   0.01  -0.02
     7   6     0.00  -0.00   0.01     0.00   0.01  -0.02    -0.01   0.01  -0.03
     8   6    -0.00   0.01  -0.01     0.00  -0.01   0.02     0.01  -0.02   0.06
     9   6     0.01  -0.00   0.00    -0.01   0.00  -0.00    -0.03   0.01  -0.00
    10   6    -0.01   0.00   0.00     0.01  -0.00  -0.01     0.03  -0.00  -0.02
    11   6    -0.01  -0.16  -0.02    -0.04  -0.04  -0.04    -0.02  -0.03   0.01
    12   6    -0.02   0.08  -0.08     0.03  -0.14   0.11    -0.02   0.11  -0.09
    13   8    -0.01   0.02   0.06    -0.00   0.02  -0.02    -0.00  -0.01   0.03
    14   8     0.01  -0.04  -0.01    -0.01   0.05  -0.00     0.01  -0.04   0.00
    15   1     0.05   0.00  -0.03     0.07   0.01  -0.05     0.18   0.03  -0.13
    16   1    -0.02   0.03   0.01     0.16  -0.03   0.07     0.30  -0.08   0.12
    17   1    -0.01   0.01   0.01    -0.14  -0.03   0.10    -0.30  -0.03   0.22
    18   1    -0.06   0.01  -0.02    -0.08   0.02  -0.03    -0.21   0.05  -0.08
    19   1    -0.09  -0.02  -0.01     0.11   0.02   0.01     0.17   0.00   0.01
    20   1     0.08   0.02  -0.01    -0.11  -0.03   0.02    -0.17  -0.02   0.04
    21   1     0.01  -0.05   0.12    -0.02   0.07  -0.19    -0.05   0.15  -0.42
    22   1     0.00   0.00  -0.02    -0.01  -0.00   0.02    -0.02  -0.01   0.05
    23   1    -0.01   0.01   0.01     0.02  -0.02  -0.02     0.06  -0.04  -0.04
    24   1    -0.01   0.00   0.02     0.02  -0.01  -0.03     0.04  -0.02  -0.07
    25   1     0.01  -0.01   0.01    -0.02   0.02  -0.01    -0.05   0.05  -0.04
    26   1     0.02  -0.02   0.00    -0.02   0.02   0.00    -0.06   0.05   0.01
    27   1    -0.01   0.01  -0.01     0.01  -0.02   0.02     0.03  -0.02   0.04
    28   1     0.09   0.70   0.32     0.17   0.65   0.27     0.22  -0.21  -0.01
    29   6     0.01   0.07  -0.03     0.01   0.02  -0.04     0.01   0.02   0.02
    30   1     0.02  -0.08   0.41    -0.02   0.09  -0.45     0.02  -0.08   0.39
    31   1    -0.02  -0.19  -0.13    -0.04   0.01  -0.05    -0.05  -0.10  -0.04
    32   1     0.03  -0.14   0.13     0.05   0.03   0.13    -0.01  -0.07  -0.06
    33   1     0.01   0.07   0.11     0.03   0.03   0.16    -0.06  -0.01  -0.07
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1373.0692              1376.3822              1388.2120
 Red. masses --      1.6401                 1.3097                 1.3529
 Frc consts  --      1.8219                 1.4618                 1.5361
 IR Inten    --      2.0774                 0.1282                 8.3501
 RamAct Fr= 1--      1.0162                 1.6986                11.4179
  Dep-P Fr= 1--      0.4855                 0.5957                 0.3762
  Dep-U Fr= 1--      0.6536                 0.7466                 0.5468
 Alpha2 Fr= 1--      0.0054                 0.0049                 0.0919
 Beta2  Fr= 1--      0.1107                 0.2114                 1.0405
 AlphaG Fr= 1--      0.0220                -0.0115                -0.0138
 Gamma2 Fr= 1--      0.3640                 1.1817                 0.0206
 Delta2 Fr= 1--      0.0226                 0.7969                 0.1190
 Raman1 Fr= 1--       4.065                  6.794                 45.672
 ROA1   Fr= 1--      35.664                138.939                  5.788
 CID1   Fr= 1--       8.774                 20.449                  0.127
 Raman2 Fr= 1--       1.328                  2.536                 12.486
 ROA2   Fr= 1--       8.554                 21.985                 -0.457
 CID2   Fr= 1--       6.439                  8.668                 -0.037
 Raman3 Fr= 1--       2.657                  5.073                 24.972
 ROA3   Fr= 1--      35.664                138.939                  5.788
 CID3   Fr= 1--      13.423                 27.389                  0.232
 RC180  Fr= 1--       0.307                  0.493                  0.094
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.08   0.01  -0.05    -0.03  -0.00   0.02     0.01   0.00  -0.01
     2   6     0.00  -0.01   0.02     0.00  -0.02   0.05     0.04   0.01  -0.00
     3   6    -0.05   0.01  -0.00    -0.03   0.01  -0.02    -0.01  -0.00   0.01
     4   6     0.03  -0.03   0.08    -0.02   0.02  -0.04    -0.00   0.00   0.00
     5   6     0.05   0.00  -0.02     0.02   0.00  -0.02    -0.01   0.00  -0.01
     6   6    -0.09   0.02  -0.02     0.04  -0.01   0.01     0.01  -0.00   0.01
     7   6     0.00  -0.01   0.02    -0.00  -0.00   0.00    -0.12  -0.03   0.00
     8   6    -0.01   0.04  -0.11    -0.01   0.03  -0.10    -0.00  -0.10  -0.03
     9   6     0.03  -0.02   0.01     0.03  -0.02  -0.00     0.02   0.01  -0.02
    10   6    -0.03   0.01   0.02    -0.03   0.02   0.02     0.03  -0.01   0.02
    11   6    -0.08  -0.01  -0.01     0.05   0.00   0.01    -0.00  -0.00  -0.00
    12   6     0.00   0.03  -0.03    -0.00  -0.01   0.01     0.00  -0.00   0.00
    13   8    -0.00  -0.01   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    14   8     0.00  -0.01   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    15   1    -0.24  -0.04   0.18     0.26   0.03  -0.18    -0.06  -0.00   0.04
    16   1    -0.11   0.02  -0.02     0.28  -0.07   0.10    -0.05   0.01  -0.00
    17   1     0.06   0.01  -0.02    -0.23  -0.03   0.15    -0.04  -0.00   0.01
    18   1     0.25  -0.06   0.11    -0.27   0.07  -0.11    -0.05   0.02  -0.02
    19   1     0.12   0.11   0.01     0.22   0.13   0.02     0.27   0.31   0.01
    20   1    -0.13  -0.10  -0.03    -0.20  -0.11  -0.02     0.29   0.28   0.13
    21   1     0.05  -0.18   0.50     0.05  -0.14   0.45     0.20   0.64   0.20
    22   1     0.04   0.05  -0.01     0.05   0.06   0.02     0.02  -0.07   0.09
    23   1    -0.10   0.06   0.06    -0.10   0.05   0.10    -0.02  -0.01   0.16
    24   1    -0.06   0.04   0.12    -0.05   0.06   0.14    -0.08   0.05   0.09
    25   1     0.08  -0.11   0.06     0.07  -0.13   0.06    -0.09   0.10  -0.03
    26   1     0.10  -0.08  -0.00     0.12  -0.09   0.02    -0.06   0.09  -0.13
    27   1    -0.04  -0.03  -0.03    -0.05  -0.07  -0.01     0.00   0.01  -0.12
    28   1     0.54  -0.06   0.10    -0.38   0.02  -0.07     0.01   0.00   0.00
    29   6     0.02   0.01  -0.01    -0.01  -0.01   0.02     0.00   0.00   0.00
    30   1     0.00  -0.02   0.08    -0.00   0.00  -0.02    -0.00  -0.00   0.00
    31   1    -0.07  -0.03  -0.04     0.03  -0.01   0.02    -0.01  -0.01  -0.00
    32   1     0.03  -0.02   0.03    -0.02  -0.01  -0.06    -0.00  -0.00  -0.01
    33   1    -0.06  -0.00   0.04     0.03  -0.00  -0.06    -0.00  -0.00  -0.00
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1405.5889              1417.9679              1425.2925
 Red. masses --      1.2774                 1.2304                 1.2480
 Frc consts  --      1.4870                 1.4576                 1.4937
 IR Inten    --      8.3453                 3.4588                 7.7220
 RamAct Fr= 1--      0.0324                 1.2907                 2.4236
  Dep-P Fr= 1--      0.7463                 0.6002                 0.5642
  Dep-U Fr= 1--      0.8547                 0.7501                 0.7214
 Alpha2 Fr= 1--      0.0000                 0.0036                 0.0085
 Beta2  Fr= 1--      0.0046                 0.1614                 0.2914
 AlphaG Fr= 1--     -0.0001                -0.0078                -0.0016
 Gamma2 Fr= 1--      0.0529                -0.0722                 0.0207
 Delta2 Fr= 1--      0.0272                 0.0454                 0.0382
 Raman1 Fr= 1--       0.130                  5.163                  9.695
 ROA1   Fr= 1--       5.951                 -5.483                  3.214
 CID1   Fr= 1--      45.880                 -1.062                  0.332
 Raman2 Fr= 1--       0.055                  1.936                  3.497
 ROA2   Fr= 1--       1.052                 -2.097                  0.192
 CID2   Fr= 1--      18.987                 -1.083                  0.055
 Raman3 Fr= 1--       0.111                  3.873                  6.994
 ROA3   Fr= 1--       5.951                 -5.483                  3.214
 CID3   Fr= 1--      53.677                 -1.416                  0.460
 RC180  Fr= 1--       0.709                  0.500                  0.443
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.01   0.00  -0.00    -0.00  -0.00   0.00
     2   6     0.00   0.00  -0.00     0.00  -0.01   0.02    -0.01  -0.00  -0.00
     3   6     0.01  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     4   6     0.00  -0.00   0.01     0.01  -0.00   0.00     0.00  -0.00  -0.00
     5   6    -0.01   0.00   0.00     0.00   0.00  -0.01     0.00  -0.00   0.00
     6   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     7   6    -0.00   0.00  -0.01    -0.00   0.00  -0.00     0.04   0.01  -0.00
     8   6     0.01  -0.02   0.05    -0.00   0.00  -0.00    -0.00   0.03   0.01
     9   6    -0.00  -0.01  -0.10     0.00  -0.00   0.00     0.01  -0.03  -0.09
    10   6    -0.02   0.08  -0.07     0.00  -0.00   0.00     0.02  -0.08   0.05
    11   6    -0.00   0.00  -0.00    -0.00  -0.01   0.01    -0.00   0.00   0.00
    12   6     0.00   0.00  -0.00    -0.01   0.03  -0.03    -0.00   0.00  -0.00
    13   8    -0.00  -0.00  -0.00     0.00  -0.00   0.01    -0.00  -0.00   0.00
    14   8     0.00  -0.00   0.00     0.00  -0.01   0.00     0.00  -0.00   0.00
    15   1    -0.02   0.00   0.01     0.02   0.01  -0.02     0.01  -0.00  -0.01
    16   1    -0.04   0.01  -0.02    -0.01   0.00  -0.01     0.01  -0.00   0.00
    17   1     0.03   0.00  -0.03    -0.05  -0.01   0.02     0.01   0.00  -0.00
    18   1     0.02  -0.00   0.00    -0.04   0.01  -0.01     0.01  -0.01   0.00
    19   1    -0.05  -0.05  -0.01     0.03   0.01   0.00    -0.12  -0.05  -0.02
    20   1     0.06   0.05   0.02    -0.03  -0.01   0.00    -0.12  -0.06   0.00
    21   1    -0.01   0.06  -0.15     0.00  -0.00   0.01    -0.05  -0.14  -0.04
    22   1     0.12   0.03   0.39    -0.00   0.00  -0.01     0.14   0.11   0.37
    23   1    -0.09  -0.07   0.37    -0.00   0.00  -0.01    -0.16  -0.02   0.36
    24   1    -0.06   0.24   0.28     0.00  -0.01  -0.00    -0.07   0.23   0.29
    25   1     0.10  -0.36   0.06    -0.00   0.01  -0.00    -0.10   0.35  -0.07
    26   1     0.17  -0.17   0.31    -0.00   0.00  -0.01    -0.22   0.19  -0.25
    27   1    -0.04  -0.28   0.31    -0.00   0.01  -0.01     0.07   0.32  -0.24
    28   1     0.04  -0.00   0.00     0.03  -0.06  -0.01     0.00  -0.00  -0.00
    29   6    -0.00  -0.00  -0.00    -0.07  -0.07  -0.09     0.00   0.00   0.00
    30   1    -0.00  -0.00   0.00     0.00  -0.02   0.08     0.00  -0.00  -0.00
    31   1     0.01   0.02   0.00     0.34   0.42   0.17    -0.00  -0.00  -0.00
    32   1     0.00   0.01   0.02     0.07   0.35   0.42     0.00  -0.00   0.00
    33   1     0.01   0.00   0.02     0.38   0.10   0.43    -0.00  -0.00  -0.00
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1461.0844              1489.2662              1489.8677
 Red. masses --      2.4416                 1.0407                 1.0978
 Frc consts  --      3.0709                 1.3600                 1.4357
 IR Inten    --      6.3943                 2.6121                 3.3894
 RamAct Fr= 1--      0.3660                 7.2503                12.4516
  Dep-P Fr= 1--      0.2313                 0.7500                 0.7196
  Dep-U Fr= 1--      0.3757                 0.8571                 0.8369
 Alpha2 Fr= 1--      0.0046                 0.0000                 0.0065
 Beta2  Fr= 1--      0.0229                 1.0358                 1.7369
 AlphaG Fr= 1--      0.0378                -0.0000                -0.0029
 Gamma2 Fr= 1--     -0.3849                 0.0162                -0.4715
 Delta2 Fr= 1--     -0.3389                -0.1457                 0.1623
 Raman1 Fr= 1--       1.464                 29.001                 49.806
 ROA1   Fr= 1--     -47.793                 -3.103                -40.068
 CID1   Fr= 1--     -32.648                 -0.107                 -0.804
 Raman2 Fr= 1--       0.275                 12.429                 20.842
 ROA2   Fr= 1--      -6.525                  1.555                -12.614
 CID2   Fr= 1--     -23.731                  0.125                 -0.605
 Raman3 Fr= 1--       0.550                 24.858                 41.685
 ROA3   Fr= 1--     -47.793                 -3.103                -40.068
 CID3   Fr= 1--     -86.904                 -0.125                 -0.961
 RC180  Fr= 1--      -0.249                  0.714                  0.674
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.14   0.02  -0.02    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     2   6     0.02  -0.05   0.14     0.00  -0.00   0.00    -0.01  -0.01  -0.00
     3   6     0.13  -0.00  -0.04     0.00  -0.00   0.00     0.00  -0.00  -0.00
     4   6     0.02  -0.05   0.14    -0.00   0.00  -0.00    -0.00   0.00   0.00
     5   6    -0.14   0.02  -0.01    -0.00  -0.00   0.00     0.00  -0.00   0.00
     6   6     0.13   0.00  -0.05     0.00   0.00  -0.00    -0.00   0.00  -0.00
     7   6    -0.00   0.01  -0.04     0.00  -0.00  -0.00     0.06  -0.05  -0.02
     8   6    -0.00   0.00  -0.01     0.00  -0.00   0.01    -0.01   0.00   0.00
     9   6     0.00  -0.01   0.01     0.04   0.01  -0.00    -0.01   0.01   0.00
    10   6     0.00   0.00   0.01    -0.04  -0.01   0.00    -0.01   0.01   0.01
    11   6    -0.04   0.02  -0.04     0.00   0.00  -0.00     0.00   0.00   0.00
    12   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    13   8    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    14   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    15   1     0.22   0.07  -0.29     0.01   0.01  -0.01     0.02   0.00  -0.01
    16   1    -0.31   0.12  -0.23    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    17   1     0.25   0.07  -0.30     0.00   0.00  -0.00     0.00  -0.00   0.00
    18   1    -0.28   0.10  -0.22    -0.01  -0.00  -0.01     0.02  -0.00   0.01
    19   1     0.21   0.05   0.01    -0.01   0.01  -0.00    -0.34   0.49  -0.22
    20   1    -0.21  -0.05   0.03    -0.00   0.00   0.01    -0.26   0.23   0.53
    21   1     0.00  -0.01   0.03    -0.01   0.02  -0.07    -0.02  -0.04  -0.01
    22   1     0.01   0.07  -0.02     0.05  -0.13   0.28    -0.06  -0.11  -0.10
    23   1    -0.04   0.03   0.00    -0.17   0.21  -0.26     0.16  -0.13   0.04
    24   1     0.03  -0.02  -0.03    -0.45  -0.19  -0.04     0.10   0.09   0.06
    25   1    -0.04   0.03  -0.00     0.46   0.21   0.01     0.07   0.11  -0.01
    26   1     0.04  -0.02  -0.03     0.11  -0.00  -0.37     0.14  -0.07  -0.13
    27   1    -0.02  -0.04  -0.06     0.01  -0.08   0.31    -0.05  -0.15   0.00
    28   1     0.38  -0.05   0.03    -0.00   0.00  -0.00    -0.00   0.00   0.00
    29   6     0.01   0.01   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    30   1     0.00   0.00  -0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    31   1    -0.06  -0.00  -0.01     0.00   0.00   0.00    -0.00  -0.00  -0.00
    32   1    -0.00  -0.04  -0.04     0.00  -0.00   0.00    -0.00   0.00  -0.00
    33   1    -0.06  -0.01   0.01    -0.00  -0.00   0.00     0.00   0.00  -0.00
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1495.7117              1497.9054              1501.8923
 Red. masses --      1.0455                 1.0569                 1.0534
 Frc consts  --      1.3781                 1.3972                 1.4000
 IR Inten    --      5.7626                 0.0082                11.5294
 RamAct Fr= 1--      5.4274                 0.4564                 5.3279
  Dep-P Fr= 1--      0.6313                 0.7496                 0.5974
  Dep-U Fr= 1--      0.7740                 0.8569                 0.7480
 Alpha2 Fr= 1--      0.0117                 0.0000                 0.0151
 Beta2  Fr= 1--      0.7001                 0.0652                 0.6642
 AlphaG Fr= 1--      0.0385                 0.0007                 0.0984
 Gamma2 Fr= 1--     -0.1659                 0.2238                 1.8543
 Delta2 Fr= 1--     -1.2925                 0.1553                 1.5989
 Raman1 Fr= 1--      21.709                  1.825                 21.312
 ROA1   Fr= 1--     -57.282                 26.459                229.179
 CID1   Fr= 1--      -2.639                 14.495                 10.754
 Raman2 Fr= 1--       8.402                  0.782                  7.970
 ROA2   Fr= 1--       6.359                  4.130                 31.712
 CID2   Fr= 1--       0.757                  5.280                  3.979
 Raman3 Fr= 1--      16.803                  1.564                 15.940
 ROA3   Fr= 1--     -57.282                 26.459                229.179
 CID3   Fr= 1--      -3.409                 16.915                 14.377
 RC180  Fr= 1--       0.548                  0.714                  0.496
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.01  -0.00  -0.00     0.00   0.00  -0.00
     2   6    -0.01   0.00  -0.00    -0.00   0.00  -0.01     0.00  -0.00   0.01
     3   6     0.01  -0.00   0.00    -0.01  -0.00   0.00     0.00   0.00   0.00
     4   6    -0.00  -0.00   0.00    -0.00   0.00  -0.01     0.01  -0.00  -0.00
     5   6     0.01   0.00  -0.01     0.01  -0.00   0.00    -0.00   0.00   0.00
     6   6     0.00  -0.00   0.00    -0.01   0.00   0.00    -0.00   0.00  -0.00
     7   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     8   6     0.00   0.00   0.00     0.00  -0.01   0.03    -0.00   0.00  -0.00
     9   6     0.00  -0.00   0.00     0.00  -0.04   0.00    -0.00   0.00   0.00
    10   6     0.00  -0.00  -0.00    -0.00   0.03   0.03    -0.00  -0.00  -0.00
    11   6    -0.02  -0.00   0.01     0.00  -0.00   0.00    -0.02   0.03  -0.00
    12   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.01  -0.01   0.01
    13   8    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    14   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    15   1    -0.02  -0.00   0.01    -0.02  -0.01   0.01    -0.00   0.00  -0.00
    16   1    -0.03   0.01  -0.01     0.01  -0.00   0.01    -0.00  -0.00  -0.00
    17   1    -0.01  -0.00   0.00    -0.00  -0.00   0.01    -0.01  -0.02   0.00
    18   1    -0.02   0.00  -0.01     0.02  -0.00   0.01    -0.00   0.00  -0.00
    19   1     0.00  -0.00  -0.00    -0.04  -0.03  -0.00     0.00   0.01  -0.00
    20   1     0.00  -0.00   0.00     0.05   0.03   0.01    -0.01  -0.00   0.00
    21   1    -0.00  -0.00  -0.00    -0.01   0.03  -0.08     0.00   0.00   0.00
    22   1     0.00   0.00   0.00     0.12   0.47  -0.01    -0.00  -0.01  -0.00
    23   1    -0.01   0.00  -0.00    -0.35   0.21   0.08     0.01  -0.01   0.00
    24   1    -0.00  -0.00  -0.00     0.14  -0.13  -0.20     0.00   0.00   0.00
    25   1     0.00  -0.00   0.00    -0.17   0.22  -0.05     0.01  -0.00   0.00
    26   1    -0.00   0.00   0.00     0.35  -0.19  -0.14    -0.01   0.00   0.00
    27   1     0.00   0.00   0.00    -0.15  -0.37  -0.28     0.00   0.01   0.01
    28   1     0.07   0.02   0.04    -0.02   0.00  -0.00     0.01  -0.05  -0.03
    29   6    -0.04  -0.01   0.03    -0.00   0.00  -0.00    -0.03   0.04  -0.02
    30   1    -0.00   0.00  -0.02    -0.00   0.00  -0.00    -0.00   0.00  -0.02
    31   1     0.03  -0.46  -0.13     0.02  -0.01   0.00     0.61  -0.24   0.02
    32   1     0.02   0.51   0.05     0.00  -0.01   0.01     0.06  -0.34   0.54
    33   1     0.51   0.11  -0.47    -0.00  -0.00  -0.01    -0.25  -0.06  -0.30
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1508.8860              1512.7628              1551.8558
 Red. masses --      1.0505                 1.0556                 2.4222
 Frc consts  --      1.4091                 1.4233                 3.4368
 IR Inten    --     11.8050                10.4743                24.2525
 RamAct Fr= 1--      0.7096                 3.0076                 0.5676
  Dep-P Fr= 1--      0.5470                 0.6868                 0.7461
  Dep-U Fr= 1--      0.7072                 0.8143                 0.8546
 Alpha2 Fr= 1--      0.0028                 0.0033                 0.0000
 Beta2  Fr= 1--      0.0836                 0.4082                 0.0808
 AlphaG Fr= 1--      0.0018                -0.0001                -0.0011
 Gamma2 Fr= 1--      0.1376                 0.1431                 0.5879
 Delta2 Fr= 1--      0.0506                 0.1702                 0.4315
 Raman1 Fr= 1--       2.838                 12.030                  2.270
 ROA1   Fr= 1--      14.824                 19.186                 70.248
 CID1   Fr= 1--       5.223                  1.595                 30.942
 Raman2 Fr= 1--       1.004                  4.898                  0.970
 ROA2   Fr= 1--       2.896                  2.073                 10.658
 CID2   Fr= 1--       2.886                  0.423                 10.987
 Raman3 Fr= 1--       2.007                  9.797                  1.940
 ROA3   Fr= 1--      14.824                 19.186                 70.248
 CID3   Fr= 1--       7.385                  1.958                 36.206
 RC180  Fr= 1--       0.414                  0.629                  0.709
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.08  -0.03   0.10
     2   6    -0.01  -0.00  -0.00    -0.00  -0.00  -0.00     0.16  -0.01  -0.02
     3   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.11   0.04  -0.08
     4   6    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.15  -0.01  -0.02
     5   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.09  -0.03   0.11
     6   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.10   0.04  -0.08
     7   6     0.02  -0.02  -0.01     0.01  -0.00  -0.00    -0.03   0.00   0.00
     8   6     0.03  -0.01  -0.01    -0.02  -0.04  -0.01    -0.00  -0.01  -0.00
     9   6     0.03  -0.01   0.01    -0.01  -0.03   0.01     0.00  -0.00   0.00
    10   6     0.02   0.00  -0.02    -0.02  -0.01  -0.03     0.00   0.00  -0.00
    11   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.03   0.00   0.01
    12   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.01
    13   8     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    14   8     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    15   1    -0.00   0.00   0.00    -0.01  -0.01   0.00     0.39   0.03  -0.21
    16   1    -0.01   0.00  -0.00    -0.01   0.00  -0.00     0.43  -0.09   0.11
    17   1    -0.01  -0.00   0.01    -0.01   0.00   0.00     0.43   0.03  -0.24
    18   1    -0.00   0.00   0.00    -0.01  -0.01  -0.01     0.44  -0.08   0.11
    19   1    -0.12   0.22  -0.09    -0.03   0.07  -0.02    -0.04   0.02  -0.00
    20   1    -0.09   0.11   0.23    -0.02   0.04   0.07    -0.04   0.02   0.02
    21   1     0.02  -0.05  -0.02     0.01   0.07   0.02     0.01   0.05   0.02
    22   1     0.10   0.12   0.22     0.06   0.45  -0.19     0.01   0.02   0.00
    23   1    -0.29   0.28  -0.20    -0.20   0.07   0.21    -0.03   0.02   0.00
    24   1    -0.29  -0.23  -0.14     0.36  -0.02  -0.17    -0.00  -0.02  -0.01
    25   1    -0.27  -0.29   0.02     0.38  -0.10   0.05    -0.00  -0.02   0.00
    26   1    -0.22   0.07   0.37    -0.23   0.17  -0.08    -0.02   0.01   0.01
    27   1     0.06   0.23  -0.11     0.12   0.24   0.40     0.01   0.02   0.01
    28   1    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.03   0.00   0.01
    29   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    30   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.01
    31   1     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.04  -0.01
    32   1    -0.00  -0.01   0.00    -0.00  -0.00  -0.00     0.00   0.06   0.02
    33   1    -0.01  -0.00   0.00    -0.00  -0.00   0.00     0.06   0.01  -0.03
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1617.0236              1658.0384              1809.4309
 Red. masses --      5.9298                 5.7996                 9.5570
 Frc consts  --      9.1353                 9.3938                18.4355
 IR Inten    --      0.0349                 1.3501               327.2990
 RamAct Fr= 1--      1.5029               136.1876                19.5600
  Dep-P Fr= 1--      0.5877                 0.4738                 0.1619
  Dep-U Fr= 1--      0.7403                 0.6430                 0.2786
 Alpha2 Fr= 1--      0.0046                 0.7562                 0.2934
 Beta2  Fr= 1--      0.1854                14.5940                 0.9083
 AlphaG Fr= 1--     -0.0702                 0.1136                -0.1217
 Gamma2 Fr= 1--      0.1052                -0.2696                 1.2690
 Delta2 Fr= 1--     -0.1309                -0.1074                -2.4945
 Raman1 Fr= 1--       6.012                544.750                 78.240
 ROA1   Fr= 1--       5.913                -29.319                 42.004
 CID1   Fr= 1--       0.984                 -0.054                  0.537
 Raman2 Fr= 1--       2.225                175.128                 10.900
 ROA2   Fr= 1--       3.573                 -5.612                 50.413
 CID2   Fr= 1--       1.606                 -0.032                  4.625
 Raman3 Fr= 1--       4.451                350.256                 21.800
 ROA3   Fr= 1--       5.913                -29.319                 42.004
 CID3   Fr= 1--       1.329                 -0.084                  1.927
 RC180  Fr= 1--       0.481                  0.286                 -0.443
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08  -0.06   0.21     0.28   0.01  -0.11     0.01  -0.00  -0.00
     2   6    -0.03   0.11  -0.32    -0.21   0.01   0.03    -0.00   0.00   0.00
     3   6    -0.12   0.08  -0.18    -0.28   0.05  -0.04    -0.01   0.00  -0.00
     4   6     0.04  -0.11   0.32     0.19  -0.02  -0.02     0.03  -0.00  -0.01
     5   6     0.07   0.06  -0.20    -0.27  -0.00   0.11    -0.01  -0.00   0.01
     6   6     0.11  -0.07   0.18     0.30  -0.05   0.04     0.01  -0.00  -0.00
     7   6     0.00  -0.01   0.04     0.03  -0.01  -0.01     0.00  -0.00  -0.00
     8   6     0.00  -0.00   0.01     0.00   0.01   0.00     0.00   0.00   0.00
     9   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    10   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    11   6    -0.02   0.02  -0.04    -0.02  -0.00   0.01     0.01  -0.06  -0.04
    12   6    -0.00   0.00   0.00     0.00  -0.00  -0.02    -0.12   0.42   0.55
    13   8     0.00  -0.00  -0.00    -0.00   0.01   0.01     0.07  -0.24  -0.37
    14   8     0.00  -0.00   0.00     0.00  -0.00   0.00     0.01  -0.03  -0.05
    15   1     0.31  -0.02  -0.05    -0.26  -0.06   0.27    -0.01  -0.00   0.01
    16   1     0.31  -0.03  -0.03     0.28  -0.10   0.18     0.02   0.01   0.01
    17   1    -0.31   0.01   0.05     0.26   0.06  -0.28     0.03  -0.00  -0.02
    18   1    -0.30   0.02   0.03    -0.31   0.10  -0.20    -0.00   0.00  -0.01
    19   1    -0.21  -0.03  -0.01     0.02   0.01  -0.01    -0.00   0.00  -0.00
    20   1     0.20   0.04  -0.03     0.02   0.00   0.01    -0.00  -0.00   0.00
    21   1    -0.00   0.01  -0.01    -0.01  -0.04  -0.01    -0.00  -0.00  -0.00
    22   1     0.01   0.01   0.01    -0.00  -0.01   0.00     0.00   0.00   0.00
    23   1    -0.02   0.01  -0.00     0.01  -0.01  -0.01    -0.00   0.00   0.00
    24   1    -0.01  -0.01  -0.01    -0.00   0.00   0.01     0.00   0.00  -0.00
    25   1     0.00   0.02  -0.00    -0.00   0.01  -0.00     0.00  -0.00   0.00
    26   1     0.01  -0.01  -0.01     0.01  -0.01   0.00    -0.00   0.00   0.00
    27   1    -0.00  -0.01  -0.00    -0.00  -0.01  -0.01     0.00   0.00   0.00
    28   1     0.28  -0.05   0.01    -0.00  -0.00   0.00    -0.08   0.23   0.08
    29   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.01  -0.01
    30   1     0.00  -0.00   0.01     0.00   0.00  -0.01     0.02  -0.08   0.47
    31   1     0.03   0.02   0.01     0.01  -0.00  -0.00     0.01   0.00   0.00
    32   1    -0.00  -0.03   0.01     0.00   0.02   0.01     0.01   0.02   0.02
    33   1    -0.02   0.00   0.01     0.02   0.00   0.00     0.03  -0.01   0.02
                     76                     77                     78
                      A                      A                      A
 Frequencies --   3002.7187              3026.0213              3027.3665
 Red. masses --      1.0816                 1.0346                 1.0486
 Frc consts  --      5.7457                 5.5815                 5.6624
 IR Inten    --     21.7719                35.0566                41.9411
 RamAct Fr= 1--    134.2535                14.8893                57.4472
  Dep-P Fr= 1--      0.4505                 0.7339                 0.6042
  Dep-U Fr= 1--      0.6211                 0.8465                 0.7532
 Alpha2 Fr= 1--      0.8214                 0.0041                 0.1547
 Beta2  Fr= 1--     13.8984                 2.1007                 7.2119
 AlphaG Fr= 1--     -0.0068                 0.0007                -0.0905
 Gamma2 Fr= 1--      0.6621                 0.7753                 0.6382
 Delta2 Fr= 1--     -0.9901                -0.6537                 0.9655
 Raman1 Fr= 1--     537.014                 59.557                229.789
 ROA1   Fr= 1--      31.876                 53.507                 92.164
 CID1   Fr= 1--       0.059                  0.898                  0.401
 Raman2 Fr= 1--     166.781                 25.209                 86.543
 ROA2   Fr= 1--      23.810                 23.837                  7.593
 CID2   Fr= 1--       0.143                  0.946                  0.088
 Raman3 Fr= 1--     333.562                 50.417                173.087
 ROA3   Fr= 1--      31.876                 53.507                 92.164
 CID3   Fr= 1--       0.096                  1.061                  0.532
 RC180  Fr= 1--       0.242                  0.693                  0.506
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     2   6     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     3   6     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     4   6    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     5   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     6   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     7   6     0.01  -0.01  -0.01    -0.00   0.00   0.00     0.02  -0.04  -0.02
     8   6    -0.08   0.02   0.01    -0.00  -0.00   0.00     0.01  -0.00  -0.00
     9   6     0.01  -0.00   0.00     0.00  -0.00  -0.03    -0.00  -0.00  -0.03
    10   6     0.01   0.00  -0.00    -0.01   0.03  -0.02     0.00  -0.01   0.02
    11   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    12   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    13   8    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    14   8    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    15   1     0.00  -0.00   0.00    -0.00   0.00  -0.01     0.00  -0.00   0.00
    16   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    17   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    18   1     0.00   0.00  -0.00     0.00   0.00  -0.01     0.00   0.00  -0.00
    19   1    -0.04   0.03   0.18     0.01  -0.01  -0.04    -0.10   0.10   0.48
    20   1    -0.07   0.13  -0.11     0.01  -0.01   0.01    -0.18   0.36  -0.29
    21   1     0.91  -0.20  -0.17     0.01  -0.00  -0.00    -0.16   0.03   0.03
    22   1    -0.08   0.02   0.02    -0.34   0.08   0.07    -0.25   0.06   0.05
    23   1    -0.03  -0.04  -0.01     0.22   0.30   0.07     0.17   0.24   0.06
    24   1    -0.01   0.04  -0.03     0.12  -0.32   0.24     0.10  -0.28   0.20
    25   1    -0.00   0.01   0.05    -0.06   0.11   0.45     0.03  -0.07  -0.29
    26   1    -0.03  -0.04  -0.01    -0.24  -0.33  -0.09     0.14   0.19   0.06
    27   1    -0.08   0.02   0.01     0.38  -0.10  -0.07    -0.20   0.05   0.03
    28   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    29   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    30   1     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    31   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    32   1     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    33   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
                     79                     80                     81
                      A                      A                      A
 Frequencies --   3032.8955              3045.4560              3063.5875
 Red. masses --      1.0477                 1.0362                 1.1039
 Frc consts  --      5.6781                 5.6624                 6.1046
 IR Inten    --     18.7608                27.7217                18.1704
 RamAct Fr= 1--    577.9392               247.6540                55.7293
  Dep-P Fr= 1--      0.0107                 0.0616                 0.7494
  Dep-U Fr= 1--      0.0211                 0.1161                 0.8568
 Alpha2 Fr= 1--     12.5265                 4.7581                 0.0005
 Beta2  Fr= 1--      2.0353                 4.7911                 7.9579
 AlphaG Fr= 1--      0.4850                -0.8655                -0.0349
 Gamma2 Fr= 1--      0.8985                 0.3591                 0.8854
 Delta2 Fr= 1--     -0.3930                 2.8822                 1.0921
 Raman1 Fr= 1--    2311.757                990.616                222.917
 ROA1   Fr= 1--      73.681                126.701                119.946
 CID1   Fr= 1--       0.032                  0.128                  0.538
 Raman2 Fr= 1--      24.423                 57.493                 95.495
 ROA2   Fr= 1--      24.709                -14.440                 12.512
 CID2   Fr= 1--       1.012                 -0.251                  0.131
 Raman3 Fr= 1--      48.847                114.986                190.989
 ROA3   Fr= 1--      73.681                126.701                119.946
 CID3   Fr= 1--       1.508                  1.102                  0.628
 RC180  Fr= 1--      -0.958                 -0.768                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     2   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     3   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     4   6    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     5   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     6   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     7   6     0.02  -0.04  -0.02     0.00  -0.00  -0.00    -0.01   0.03  -0.09
     8   6     0.01  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     9   6    -0.00   0.00   0.03    -0.00  -0.00   0.00     0.00  -0.01   0.00
    10   6    -0.01   0.02  -0.02    -0.00   0.00  -0.00    -0.00   0.00   0.01
    11   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    12   6    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    13   8     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    14   8     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    15   1     0.01  -0.00   0.01     0.00  -0.00   0.00    -0.01   0.01  -0.01
    16   1     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    17   1     0.00  -0.00  -0.00    -0.00   0.00  -0.01     0.00  -0.00   0.00
    18   1     0.01   0.00  -0.01     0.00   0.00  -0.00     0.01   0.00  -0.01
    19   1    -0.09   0.10   0.45    -0.00   0.00   0.01    -0.14   0.16   0.66
    20   1    -0.16   0.34  -0.26    -0.00   0.00  -0.00     0.26  -0.53   0.39
    21   1    -0.18   0.04   0.03    -0.00   0.00   0.00     0.00  -0.00   0.00
    22   1     0.30  -0.07  -0.06     0.00  -0.00  -0.00    -0.03   0.01   0.01
    23   1    -0.16  -0.22  -0.06    -0.00  -0.00  -0.00     0.03   0.03   0.01
    24   1    -0.09   0.25  -0.18    -0.00   0.00  -0.00    -0.01   0.04  -0.03
    25   1    -0.04   0.07   0.30    -0.00   0.00   0.00     0.01  -0.01  -0.05
    26   1    -0.16  -0.21  -0.06    -0.00  -0.00  -0.00    -0.03  -0.03  -0.01
    27   1     0.29  -0.07  -0.05     0.00  -0.00  -0.00     0.03  -0.01  -0.00
    28   1    -0.00  -0.00   0.00    -0.00  -0.01   0.02    -0.00  -0.00   0.00
    29   6     0.00   0.00   0.00    -0.04  -0.03  -0.02    -0.00  -0.00  -0.00
    30   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    31   1     0.00   0.00  -0.00    -0.08  -0.15   0.40    -0.00  -0.00   0.00
    32   1    -0.01   0.00   0.00     0.67  -0.06  -0.13     0.00  -0.00  -0.00
    33   1     0.00  -0.01   0.00    -0.16   0.55  -0.04    -0.00   0.00  -0.00
                     82                     83                     84
                      A                      A                      A
 Frequencies --   3084.3543              3085.7927              3088.3366
 Red. masses --      1.0851                 1.1020                 1.1008
 Frc consts  --      6.0823                 6.1823                 6.1858
 IR Inten    --      3.7551                15.5184                50.3847
 RamAct Fr= 1--     61.6477                38.1829               134.6295
  Dep-P Fr= 1--      0.1986                 0.7474                 0.6929
  Dep-U Fr= 1--      0.3314                 0.8555                 0.8186
 Alpha2 Fr= 1--      0.8403                 0.0017                 0.1346
 Beta2  Fr= 1--      3.4049                 5.4440                18.3675
 AlphaG Fr= 1--      0.3500                -0.1008                -0.0069
 Gamma2 Fr= 1--     -3.7830                 2.9965                -0.4078
 Delta2 Fr= 1--     -4.0062                 2.1822                -2.1479
 Raman1 Fr= 1--     246.591                152.732                538.518
 ROA1   Fr= 1--    -491.369                357.494               -107.882
 CID1   Fr= 1--      -1.993                  2.341                 -0.200
 Raman2 Fr= 1--      40.859                 65.328                220.410
 ROA2   Fr= 1--     -58.744                 54.458                  7.395
 CID2   Fr= 1--      -1.438                  0.834                  0.034
 Raman3 Fr= 1--      81.718                130.656                440.820
 ROA3   Fr= 1--    -491.369                357.494               -107.882
 CID3   Fr= 1--      -6.013                  2.736                 -0.245
 RC180  Fr= 1--      -0.337                  0.711                  0.637
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     2   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     3   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     4   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     5   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     6   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     7   6    -0.00   0.00   0.00    -0.00   0.00  -0.01     0.00  -0.00   0.00
     8   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     9   6     0.00  -0.00   0.00     0.01   0.06  -0.01    -0.00  -0.07   0.01
    10   6     0.00   0.00   0.00    -0.01  -0.04  -0.05    -0.01  -0.04  -0.05
    11   6     0.02   0.03  -0.07     0.00   0.00  -0.00     0.00   0.00  -0.00
    12   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    13   8    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    14   8     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    15   1     0.00  -0.00   0.00    -0.01   0.00  -0.01     0.01  -0.00   0.01
    16   1     0.02   0.01  -0.03    -0.00  -0.00   0.00     0.00   0.00  -0.00
    17   1     0.00  -0.00   0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
    18   1     0.00  -0.00   0.00     0.01   0.00  -0.01     0.00   0.00  -0.01
    19   1     0.00  -0.00  -0.00    -0.01   0.02   0.06    -0.00   0.00   0.01
    20   1     0.00   0.00  -0.00     0.02  -0.05   0.04    -0.01   0.02  -0.01
    21   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.03   0.01   0.01
    22   1    -0.00   0.00   0.00     0.05   0.00  -0.01    -0.12   0.01   0.03
    23   1     0.00   0.00   0.00    -0.28  -0.37  -0.10     0.30   0.39   0.12
    24   1    -0.00   0.00  -0.00     0.13  -0.35   0.27    -0.15   0.40  -0.31
    25   1     0.00  -0.00  -0.01    -0.07   0.11   0.50    -0.06   0.10   0.46
    26   1    -0.01  -0.01  -0.00     0.31   0.41   0.10     0.26   0.34   0.08
    27   1    -0.00   0.00   0.00    -0.07   0.01  -0.00    -0.14   0.03   0.01
    28   1    -0.19  -0.34   0.89    -0.00  -0.00   0.01    -0.00  -0.00   0.00
    29   6    -0.01  -0.01   0.02    -0.00  -0.00   0.00    -0.00   0.00   0.00
    30   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    31   1     0.04   0.07  -0.19     0.00   0.00  -0.00     0.00   0.00  -0.00
    32   1     0.07  -0.01  -0.01     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    33   1    -0.01   0.03   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --   3092.0368              3097.1395              3107.0048
 Red. masses --      1.1017                 1.1008                 1.1021
 Frc consts  --      6.2059                 6.2213                 6.2685
 IR Inten    --      6.9290                76.0051                25.2385
 RamAct Fr= 1--     11.7992                59.6873               103.3324
  Dep-P Fr= 1--      0.7484                 0.4694                 0.7167
  Dep-U Fr= 1--      0.8561                 0.6389                 0.8349
 Alpha2 Fr= 1--      0.0003                 0.3376                 0.0595
 Beta2  Fr= 1--      1.6836                 6.3562                14.3795
 AlphaG Fr= 1--      0.0211                -0.0619                 0.1554
 Gamma2 Fr= 1--     -1.7097                -0.6700                -1.8992
 Delta2 Fr= 1--     -0.4400                 0.8243                -3.6618
 Raman1 Fr= 1--      47.197                238.749                413.330
 ROA1   Fr= 1--    -178.210                -37.946               -299.496
 CID1   Fr= 1--      -3.776                 -0.159                 -0.725
 Raman2 Fr= 1--      20.203                 76.274                172.555
 ROA2   Fr= 1--     -37.512                -22.676                -16.286
 CID2   Fr= 1--      -1.857                 -0.297                 -0.094
 Raman3 Fr= 1--      40.406                152.548                345.109
 ROA3   Fr= 1--    -178.210                -37.946               -299.496
 CID3   Fr= 1--      -4.411                 -0.249                 -0.868
 RC180  Fr= 1--       0.712                  0.278                  0.670
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     2   6     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     3   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     4   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     5   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     6   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     7   6     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     8   6    -0.00  -0.00   0.00    -0.01   0.00   0.00    -0.00   0.00   0.00
     9   6     0.06  -0.01   0.01    -0.07  -0.00  -0.00    -0.00  -0.00  -0.00
    10   6    -0.06  -0.00   0.02    -0.06  -0.01   0.01    -0.00  -0.00  -0.00
    11   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    12   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    13   8    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    14   8    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    15   1    -0.00   0.00  -0.01     0.00  -0.00   0.01     0.00  -0.00   0.00
    16   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    17   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    18   1     0.00   0.00  -0.01     0.00   0.00  -0.01    -0.00  -0.00   0.00
    19   1     0.01  -0.01  -0.03     0.00  -0.00  -0.02     0.00  -0.00  -0.00
    20   1    -0.01   0.02  -0.02     0.01  -0.02   0.01     0.00  -0.00   0.00
    21   1     0.00  -0.00   0.00     0.16  -0.04  -0.03     0.00  -0.00  -0.00
    22   1    -0.55   0.14   0.13     0.56  -0.14  -0.13     0.00  -0.00  -0.00
    23   1    -0.15  -0.23  -0.06     0.20   0.29   0.08     0.00   0.00   0.00
    24   1    -0.05   0.19  -0.14     0.04  -0.15   0.11    -0.00  -0.00   0.00
    25   1     0.01  -0.05  -0.22     0.01  -0.04  -0.16    -0.00  -0.00   0.00
    26   1     0.17   0.25   0.07     0.19   0.28   0.08     0.00   0.00   0.00
    27   1     0.58  -0.16  -0.09     0.53  -0.15  -0.08     0.00  -0.00  -0.00
    28   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.01  -0.02   0.06
    29   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.07  -0.06  -0.02
    30   1     0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    31   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.01  -0.06   0.14
    32   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.67   0.04   0.13
    33   1     0.00  -0.00   0.00     0.00  -0.01   0.00    -0.18   0.68  -0.05
                     88                     89                     90
                      A                      A                      A
 Frequencies --   3131.1290              3163.6617              3168.2926
 Red. masses --      1.1003                 1.0868                 1.0879
 Frc consts  --      6.3559                 6.4087                 6.4339
 IR Inten    --     14.9314                10.3252                10.9078
 RamAct Fr= 1--     27.8917                47.6227                61.2979
  Dep-P Fr= 1--      0.6319                 0.7475                 0.5034
  Dep-U Fr= 1--      0.7745                 0.8555                 0.6697
 Alpha2 Fr= 1--      0.0598                 0.0020                 0.2979
 Beta2  Fr= 1--      3.6001                 6.7903                 6.8419
 AlphaG Fr= 1--     -0.0162                -0.0248                -0.3133
 Gamma2 Fr= 1--     -1.3907                 0.7552                -2.4597
 Delta2 Fr= 1--      0.7242                 0.5319                 0.3282
 Raman1 Fr= 1--     111.567                190.491                245.191
 ROA1   Fr= 1--    -110.328                 89.516               -225.628
 CID1   Fr= 1--      -0.989                  0.470                 -0.920
 Raman2 Fr= 1--      43.202                 81.484                 82.103
 ROA2   Fr= 1--     -39.170                 13.869                -61.658
 CID2   Fr= 1--      -0.907                  0.170                 -0.751
 Raman3 Fr= 1--      86.403                162.968                164.207
 ROA3   Fr= 1--    -110.328                 89.516               -225.628
 CID3   Fr= 1--      -1.277                  0.549                 -1.374
 RC180  Fr= 1--       0.549                  0.711                  0.339
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.03  -0.02   0.04    -0.00   0.00  -0.01
     2   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     3   6    -0.00  -0.00   0.00     0.02   0.02  -0.06     0.00   0.00  -0.00
     4   6     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     5   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.01  -0.01   0.02
     6   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.03   0.02  -0.07
     7   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     8   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     9   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    10   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    11   6     0.00   0.01  -0.02     0.00   0.00  -0.00    -0.00  -0.00   0.00
    12   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    13   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    14   8     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    15   1     0.00  -0.00   0.00    -0.38   0.22  -0.51     0.05  -0.03   0.07
    16   1     0.01   0.01  -0.02    -0.29  -0.18   0.65    -0.00  -0.00   0.00
    17   1    -0.03   0.02  -0.04    -0.02   0.01  -0.02    -0.19   0.11  -0.26
    18   1    -0.00  -0.00   0.01    -0.02  -0.01   0.04    -0.37  -0.23   0.82
    19   1    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.01   0.00   0.02
    20   1     0.00  -0.00   0.00    -0.01   0.01  -0.01     0.00  -0.00   0.00
    21   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    22   1     0.00  -0.00  -0.00     0.01  -0.00  -0.00    -0.00   0.00   0.00
    23   1     0.00   0.00   0.00     0.00   0.01   0.00    -0.00  -0.00  -0.00
    24   1     0.00  -0.00   0.00    -0.00   0.01  -0.01     0.00  -0.00   0.00
    25   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.01
    26   1     0.00   0.00   0.00     0.00   0.00   0.00     0.01   0.01   0.00
    27   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.01  -0.00  -0.00
    28   1    -0.04  -0.07   0.19    -0.01  -0.01   0.03     0.00   0.00  -0.00
    29   6     0.02   0.05  -0.07     0.00   0.00  -0.00    -0.00  -0.00   0.00
    30   1     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    31   1    -0.15  -0.28   0.81    -0.00  -0.00   0.01     0.00   0.01  -0.02
    32   1    -0.20   0.03   0.03    -0.00   0.00   0.00     0.01  -0.00  -0.00
    33   1     0.11  -0.38   0.01     0.00  -0.00  -0.00    -0.00   0.01  -0.00
                     91                     92                     93
                      A                      A                      A
 Frequencies --   3180.4236              3193.7799              3727.7406
 Red. masses --      1.0937                 1.0924                 1.0641
 Frc consts  --      6.5183                 6.5653                 8.7118
 IR Inten    --     14.8008                 5.5895                66.7496
 RamAct Fr= 1--    128.1335               115.1709               141.4463
  Dep-P Fr= 1--      0.1299                 0.1354                 0.2344
  Dep-U Fr= 1--      0.2300                 0.2385                 0.3797
 Alpha2 Fr= 1--      2.0834                 1.8471                 1.7508
 Beta2  Fr= 1--      4.9118                 4.5788                 8.9515
 AlphaG Fr= 1--      0.3701                -0.1074                -0.3815
 Gamma2 Fr= 1--      3.4016                 1.0223                 3.1812
 Delta2 Fr= 1--     -0.1726                 0.4287                -0.9591
 Raman1 Fr= 1--     512.534                460.684                565.785
 ROA1   Fr= 1--     321.029                111.864                274.704
 CID1   Fr= 1--       0.626                  0.243                  0.486
 Raman2 Fr= 1--      58.942                 54.946                107.418
 ROA2   Fr= 1--      83.019                 21.107                 84.022
 CID2   Fr= 1--       1.408                  0.384                  0.782
 Raman3 Fr= 1--     117.883                109.892                214.837
 ROA3   Fr= 1--     321.029                111.864                274.704
 CID3   Fr= 1--       2.723                  1.018                  1.279
 RC180  Fr= 1--      -0.540                 -0.523                 -0.241
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.02  -0.05     0.00  -0.00   0.00    -0.00  -0.00   0.00
     2   6    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     3   6     0.03   0.01  -0.05    -0.00  -0.00   0.00     0.00   0.00   0.00
     4   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     5   6    -0.00   0.00  -0.01    -0.05   0.03  -0.06    -0.00   0.00  -0.00
     6   6    -0.00  -0.00   0.00     0.01   0.01  -0.03     0.00   0.00  -0.00
     7   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     8   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     9   6     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    10   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    11   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    12   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    13   8     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    14   8    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.01  -0.06  -0.01
    15   1     0.42  -0.24   0.55    -0.04   0.02  -0.05    -0.00   0.00  -0.00
    16   1    -0.27  -0.17   0.59     0.02   0.01  -0.04     0.00  -0.00  -0.00
    17   1     0.05  -0.03   0.07     0.53  -0.30   0.70     0.00  -0.00  -0.00
    18   1     0.01   0.01  -0.03    -0.14  -0.08   0.30    -0.00  -0.00   0.00
    19   1     0.00  -0.00  -0.00    -0.00   0.00   0.01    -0.00   0.00   0.00
    20   1     0.01  -0.01   0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    21   1    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    22   1    -0.01   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    23   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    24   1     0.00  -0.01   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    25   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    26   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    27   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    28   1    -0.01  -0.01   0.02     0.00  -0.00  -0.00     0.00  -0.00   0.00
    29   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    30   1     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.24   0.96   0.11
    31   1    -0.00  -0.00   0.01    -0.01  -0.01   0.04     0.00   0.00  -0.00
    32   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    33   1     0.00  -0.00  -0.00     0.00  -0.01   0.00    -0.00   0.00  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  8 and mass  15.99491
 Atom    14 has atomic number  8 and mass  15.99491
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Atom    29 has atomic number  6 and mass  12.00000
 Atom    30 has atomic number  1 and mass   1.00783
 Atom    31 has atomic number  1 and mass   1.00783
 Atom    32 has atomic number  1 and mass   1.00783
 Atom    33 has atomic number  1 and mass   1.00783
 Molecular mass:   206.13068 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1536.862066268.961776454.32596
           X            0.99974   0.02180   0.00655
           Y           -0.02114   0.99583  -0.08879
           Z           -0.00846   0.08863   0.99603
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.05636     0.01382     0.01342
 Rotational constants (GHZ):           1.17430     0.28789     0.27962
 Zero-point vibrational energy     747300.4 (Joules/Mol)
                                  178.60908 (Kcal/Mol)
 Warning -- explicit consideration of  23 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     31.51    55.66    69.07    87.25   130.95
          (Kelvin)            167.91   234.51   287.75   335.08   357.18
                              367.22   387.10   407.70   482.00   516.75
                              563.93   585.11   589.56   609.32   705.49
                              804.64   842.99   879.37   920.54   954.31
                             1027.03  1092.05  1129.34  1181.39  1192.12
                             1229.51  1231.11  1250.62  1295.94  1356.56
                             1381.12  1394.75  1400.95  1408.29  1441.51
                             1504.23  1524.87  1565.30  1593.95  1597.32
                             1656.73  1707.95  1731.40  1747.70  1759.92
                             1780.35  1791.31  1867.56  1884.50  1929.43
                             1937.01  1947.18  1975.54  1980.31  1997.33
                             2022.33  2040.14  2050.68  2102.17  2142.72
                             2143.59  2152.00  2155.15  2160.89  2170.95
                             2176.53  2232.77  2326.54  2385.55  2603.37
                             4320.24  4353.77  4355.71  4363.66  4381.73
                             4407.82  4437.70  4439.77  4443.43  4448.75
                             4456.09  4470.29  4505.00  4551.80  4558.47
                             4575.92  4595.14  5363.39
 
 Zero-point correction=                           0.284632 (Hartree/Particle)
 Thermal correction to Energy=                    0.300138
 Thermal correction to Enthalpy=                  0.301082
 Thermal correction to Gibbs Free Energy=         0.240431
 Sum of electronic and zero-point Energies=           -656.737336
 Sum of electronic and thermal Energies=              -656.721830
 Sum of electronic and thermal Enthalpies=            -656.720886
 Sum of electronic and thermal Free Energies=         -656.781537
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  188.339             58.569            127.650
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             41.874
 Rotational               0.889              2.981             32.497
 Vibrational            186.562             52.607             53.278
 Vibration     1          0.593              1.985              6.454
 Vibration     2          0.594              1.981              5.325
 Vibration     3          0.595              1.978              4.898
 Vibration     4          0.597              1.973              4.436
 Vibration     5          0.602              1.956              3.638
 Vibration     6          0.608              1.936              3.154
 Vibration     7          0.623              1.888              2.515
 Vibration     8          0.638              1.840              2.133
 Vibration     9          0.654              1.791              1.857
 Vibration    10          0.662              1.766              1.743
 Vibration    11          0.666              1.754              1.694
 Vibration    12          0.673              1.730              1.602
 Vibration    13          0.682              1.704              1.513
 Vibration    14          0.716              1.606              1.236
 Vibration    15          0.734              1.556              1.126
 Vibration    16          0.759              1.487              0.993
 Vibration    17          0.771              1.456              0.938
 Vibration    18          0.774              1.449              0.927
 Vibration    19          0.786              1.419              0.880
 Vibration    20          0.846              1.271              0.683
 Vibration    21          0.915              1.119              0.525
 Vibration    22          0.943              1.062              0.475
 Vibration    23          0.970              1.008              0.431
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.256657-110       -110.590646       -254.644373
 Total V=0       0.214154D+21         20.330727         46.813229
 Vib (Bot)       0.781627-125       -125.107000       -288.069514
 Vib (Bot)    1  0.945881D+01          0.975836          2.246946
 Vib (Bot)    2  0.534842D+01          0.728226          1.676801
 Vib (Bot)    3  0.430722D+01          0.634197          1.460293
 Vib (Bot)    4  0.340516D+01          0.532137          1.225291
 Vib (Bot)    5  0.225860D+01          0.353838          0.814743
 Vib (Bot)    6  0.175235D+01          0.243622          0.560960
 Vib (Bot)    7  0.123917D+01          0.093132          0.214445
 Vib (Bot)    8  0.996983D+00         -0.001312         -0.003021
 Vib (Bot)    9  0.844621D+00         -0.073338         -0.168868
 Vib (Bot)   10  0.786827D+00         -0.104121         -0.239748
 Vib (Bot)   11  0.762766D+00         -0.117608         -0.270803
 Vib (Bot)   12  0.718659D+00         -0.143477         -0.330368
 Vib (Bot)   13  0.677282D+00         -0.169230         -0.389667
 Vib (Bot)   14  0.556014D+00         -0.254914         -0.586961
 Vib (Bot)   15  0.510618D+00         -0.291904         -0.672133
 Vib (Bot)   16  0.457399D+00         -0.339705         -0.782200
 Vib (Bot)   17  0.436127D+00         -0.360387         -0.829822
 Vib (Bot)   18  0.431840D+00         -0.364678         -0.839701
 Vib (Bot)   19  0.413501D+00         -0.383523         -0.883095
 Vib (Bot)   20  0.338046D+00         -0.471024         -1.084573
 Vib (Bot)   21  0.278113D+00         -0.555779         -1.279729
 Vib (Bot)   22  0.258538D+00         -0.587475         -1.352711
 Vib (Bot)   23  0.241490D+00         -0.617100         -1.420926
 Vib (V=0)       0.652188D+06          5.814373         13.388088
 Vib (V=0)    1  0.997201D+01          0.998783          2.299783
 Vib (V=0)    2  0.587174D+01          0.768767          1.770151
 Vib (V=0)    3  0.483615D+01          0.684499          1.576118
 Vib (V=0)    4  0.394167D+01          0.595680          1.371605
 Vib (V=0)    5  0.281328D+01          0.449213          1.034350
 Vib (V=0)    6  0.232229D+01          0.365917          0.842554
 Vib (V=0)    7  0.183625D+01          0.263931          0.607723
 Vib (V=0)    8  0.161534D+01          0.208263          0.479543
 Vib (V=0)    9  0.148152D+01          0.170708          0.393069
 Vib (V=0)   10  0.143225D+01          0.156020          0.359249
 Vib (V=0)   11  0.141204D+01          0.149846          0.345034
 Vib (V=0)   12  0.137548D+01          0.138455          0.318805
 Vib (V=0)   13  0.134185D+01          0.127704          0.294049
 Vib (V=0)   14  0.124776D+01          0.096133          0.221354
 Vib (V=0)   15  0.121465D+01          0.084453          0.194460
 Vib (V=0)   16  0.117765D+01          0.071017          0.163524
 Vib (V=0)   17  0.116348D+01          0.065759          0.151416
 Vib (V=0)   18  0.116067D+01          0.064709          0.148998
 Vib (V=0)   19  0.114883D+01          0.060257          0.138746
 Vib (V=0)   20  0.110355D+01          0.042793          0.098534
 Vib (V=0)   21  0.107214D+01          0.030252          0.069659
 Vib (V=0)   22  0.106289D+01          0.026487          0.060989
 Vib (V=0)   23  0.105526D+01          0.023361          0.053790
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.116324D+09          8.065668         18.571887
 Rotational      0.282284D+07          6.450686         14.853254
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3        33333333333333333                           111111111111111111111111111111111111                                       
     7        11111100000000000                           8665555444444443333333222222111100009999998888877766655444433322222211     
     2        98663099888643220                           051510099986210877544194321085108640776640655228516418592109538654306196432
     8        40841772864453763                           987239286091586863361085735371088052949031965915943016904072953958303711892
 
     X        XXXXXXXXXXXXXXXXX                           XX XXXX XXXXXXXXXXXXXXXXXXXXXXXXXXXXX X XXXXXXXXXXXXXXXXXXXXXXXXX   X  XXXX
     X             XX X   X XX                            X                           X    X X      X        XXX                     
     X              X X     X                             X                           X    X                 X X                     
     X              X                                     X                           X    X                                         
                    X                                     X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000016721    0.000003309    0.000007701
      2        6          -0.000000552    0.000005020   -0.000017200
      3        6           0.000019258   -0.000000280    0.000000871
      4        6          -0.000003579   -0.000013293    0.000002095
      5        6          -0.000009958    0.000004959    0.000004556
      6        6           0.000014302   -0.000000482    0.000005919
      7        6          -0.000008578   -0.000001339    0.000003270
      8        6           0.000000922    0.000002956    0.000001705
      9        6           0.000001363   -0.000004764   -0.000011996
     10        6           0.000002443   -0.000007684    0.000007161
     11        6           0.000018029    0.000014361    0.000001318
     12        6          -0.000004360    0.000008445   -0.000092390
     13        8          -0.000005339    0.000016095    0.000037841
     14        8           0.000003966   -0.000018816    0.000052425
     15        1           0.000002993   -0.000002129   -0.000001545
     16        1          -0.000003488    0.000003544    0.000000234
     17        1           0.000005593   -0.000000754    0.000002399
     18        1          -0.000002863   -0.000003471    0.000000722
     19        1           0.000004998   -0.000002235    0.000001084
     20        1           0.000001306    0.000000637   -0.000000732
     21        1           0.000003226    0.000001055   -0.000000580
     22        1          -0.000003331    0.000001944    0.000005926
     23        1           0.000000781    0.000000535   -0.000001448
     24        1          -0.000001727    0.000000484   -0.000000227
     25        1          -0.000000353   -0.000001486   -0.000002116
     26        1          -0.000000379    0.000000426   -0.000000489
     27        1          -0.000000225    0.000004190   -0.000002484
     28        1          -0.000001076    0.000001824   -0.000000275
     29        6          -0.000011055   -0.000009114   -0.000000093
     30        1           0.000000292    0.000003588   -0.000001558
     31        1          -0.000003176   -0.000004359    0.000005838
     32        1          -0.000001519   -0.000001361   -0.000005922
     33        1          -0.000001194   -0.000001800   -0.000002008
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000092390 RMS     0.000012937
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.217446D+03 -0.133994D+01 -0.473295D+00
      2  -0.133994D+01  0.142029D+03 -0.693647D+01
      3  -0.473295D+00 -0.693647D+01  0.160374D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.432402D+01 -0.665826D+01  0.204742D+02
      2   0.106504D+02 -0.817071D+01  0.466636D+02
      3  -0.126248D+03 -0.357634D+02  0.121407D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.170153D+03  0.569747D+02 -0.366479D+01
      2  -0.939966D+02 -0.290449D+02  0.156955D+02
      3  -0.761563D+02 -0.279298D+02 -0.120307D+02
      4  -0.211399D+02  0.676609D+02 -0.257601D+02
      5  -0.775644D+01 -0.283433D+02  0.100306D+03
      6  -0.117365D+02  0.120077D+02 -0.249927D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.931551D+01  0.612245D+00  0.105226D+01 -0.183864D+01  0.155022D+01
      2   0.612245D+00  0.179752D+01 -0.689680D+00  0.155022D+01 -0.336268D+01
      3   0.105226D+01 -0.689680D+00  0.276109D+01  0.187520D+01  0.222193D+01
                 6             7             8             9            10 
      1   0.187520D+01  0.129566D+02  0.164049D+01 -0.946184D+00  0.319717D+02
      2   0.222193D+01  0.164049D+01 -0.684072D-01  0.141555D+01  0.174258D+01
      3   0.105168D+01 -0.946184D+00  0.141555D+01  0.957559D+00 -0.139157D+01
                11            12            13            14            15 
      1   0.174258D+01 -0.139157D+01 -0.584078D+00  0.437325D+01  0.114277D+01
      2   0.186474D+01 -0.755884D+00  0.437325D+01 -0.122054D+01 -0.103156D+00
      3  -0.755884D+00  0.304555D+01  0.114277D+01 -0.103156D+00 -0.807337D+00
                16            17            18            19            20 
      1  -0.322696D+01  0.848602D+00  0.134865D+01  0.126256D+02 -0.654719D+00
      2   0.848602D+00  0.272634D+00 -0.108461D+01 -0.654719D+00 -0.242215D+01
      3   0.134865D+01 -0.108461D+01 -0.659874D+00 -0.126101D+01  0.138794D+01
                21            22            23            24            25 
      1  -0.126101D+01 -0.406111D+01 -0.159468D+01 -0.200273D+00  0.113308D+02
      2   0.138794D+01 -0.159468D+01 -0.276190D+01  0.247910D+01 -0.192160D+01
      3  -0.165342D+01 -0.200273D+00  0.247910D+01  0.186938D+01  0.281726D+00
                26            27            28            29            30 
      1  -0.192160D+01  0.281726D+00 -0.297486D+02  0.708659D+00  0.106166D+01
      2   0.127547D+01  0.133065D+01  0.708659D+00 -0.164508D+01  0.288169D+00
      3   0.133065D+01  0.148589D+01  0.106166D+01  0.288169D+00 -0.277711D+01
                31            32            33            34            35 
      1   0.299923D+01 -0.495172D+01 -0.159973D+01  0.312180D+01 -0.142014D+01
      2  -0.495172D+01  0.787398D+00  0.413936D+00 -0.142014D+01 -0.135181D+00
      3  -0.159973D+01  0.413936D+00  0.115848D+00 -0.710050D+00 -0.873328D+00
                36            37            38            39            40 
      1  -0.710050D+00  0.897898D+01 -0.758657D+00 -0.772363D+00  0.398686D+01
      2  -0.873328D+00 -0.758657D+00 -0.100226D+01 -0.501693D+00 -0.173160D+01
      3   0.522117D+00 -0.772363D+00 -0.501693D+00 -0.294436D+01 -0.108562D+01
                41            42            43            44            45 
      1  -0.173160D+01 -0.108562D+01 -0.131478D+02  0.293395D+00  0.710005D+00
      2   0.224585D+01 -0.223097D+01  0.293395D+00 -0.927526D+00 -0.892042D+00
      3  -0.223097D+01 -0.129344D+01  0.710005D+00 -0.892042D+00 -0.132895D+01
                46            47            48            49            50 
      1  -0.113869D+02  0.692437D+00  0.759833D+00  0.558688D+01  0.217821D+01
      2   0.692437D+00  0.977622D+00  0.252489D-01  0.217821D+01  0.179255D+01
      3   0.759833D+00  0.252489D-01  0.147400D+01 -0.426868D+00 -0.292567D+01
                51            52            53            54            55 
      1  -0.426868D+00 -0.100929D+02  0.401049D+00 -0.511101D+00 -0.156424D+02
      2  -0.292567D+01  0.401049D+00 -0.138389D+01 -0.920198D+00 -0.274161D+01
      3  -0.210713D+01 -0.511101D+00 -0.920198D+00 -0.144733D+01 -0.295855D+00
                56            57            58            59            60 
      1  -0.274161D+01 -0.295855D+00 -0.680493D+01 -0.678790D+01 -0.224421D+00
      2  -0.372046D+01  0.722039D-01 -0.678790D+01  0.578465D+00 -0.193121D+01
      3   0.722039D-01 -0.171729D+01 -0.224421D+00 -0.193121D+01  0.205314D+01
                61            62            63            64            65 
      1  -0.140360D+01 -0.426035D+00 -0.324897D+01 -0.427495D+01  0.425279D+01
      2  -0.426035D+00 -0.248589D+01  0.310970D+01  0.425279D+01  0.283431D+01
      3  -0.324897D+01  0.310970D+01  0.461402D+01  0.221114D+01 -0.283619D+00
                66            67            68            69            70 
      1   0.221114D+01  0.132860D+02  0.503417D+01 -0.100696D+00  0.519856D+01
      2  -0.283619D+00  0.503417D+01  0.180419D+01  0.307776D+01  0.646809D+00
      3   0.773744D+00 -0.100696D+00  0.307776D+01 -0.272779D+01  0.239757D+00
                71            72            73            74            75 
      1   0.646809D+00  0.239757D+00  0.299066D+01 -0.338209D+01 -0.235198D+01
      2   0.314187D+01 -0.242643D+01 -0.338209D+01 -0.336892D+01 -0.454703D-01
      3  -0.242643D+01 -0.396614D+01 -0.235198D+01 -0.454703D-01 -0.142105D+01
                76            77            78            79            80 
      1  -0.515082D+01 -0.454657D+01 -0.351664D-01 -0.297320D+01  0.169168D+00
      2  -0.454657D+01 -0.139062D+01 -0.431875D+01  0.169168D+00 -0.325936D+01
      3  -0.351664D-01 -0.431875D+01  0.289521D+01 -0.493287D+00  0.247248D+01
                81            82            83            84            85 
      1  -0.493287D+00  0.339326D+01 -0.380499D+01 -0.135325D+01 -0.562687D+01
      2   0.247248D+01 -0.380499D+01 -0.356658D+01  0.233479D+00 -0.382155D+01
      3   0.181707D+01 -0.135325D+01  0.233479D+00 -0.921408D+00 -0.241197D+00
                86            87            88            89            90 
      1  -0.382155D+01 -0.241197D+00 -0.184606D+01 -0.863063D+00 -0.768660D+00
      2  -0.300513D+01 -0.223278D+01 -0.863063D+00 -0.290162D+01  0.192245D+01
      3  -0.223278D+01  0.292777D+01 -0.768660D+00  0.192245D+01  0.618649D+01
                91            92            93            94            95 
      1   0.709771D+01  0.152302D+01  0.158748D+01 -0.346250D+01  0.550106D+01
      2   0.152302D+01  0.158401D+01  0.325086D+00  0.550106D+01 -0.372653D+01
      3   0.158748D+01  0.325086D+00  0.148459D+01  0.136168D+01  0.475599D+00
                96            97            98            99           100 
      1   0.136168D+01  0.294440D+01  0.173730D+01  0.224188D+01  0.483597D+00
      2   0.475599D+00  0.173730D+01  0.536342D+00  0.245891D+01 -0.114722D+01
      3   0.210027D+01  0.224188D+01  0.245891D+01 -0.337017D+01 -0.130695D+01
               101           102           103           104           105 
      1  -0.114722D+01 -0.130695D+01  0.429843D+00 -0.934753D+00  0.115451D+01
      2   0.317023D-01  0.735157D+00 -0.934753D+00  0.292031D+01 -0.152050D+01
      3   0.735157D+00  0.563228D+00  0.115451D+01 -0.152050D+01 -0.333866D+01
               106           107           108           109           110 
      1  -0.395677D+01  0.225159D+01  0.128529D+01 -0.227935D+01  0.179579D+01
      2   0.225159D+01 -0.485022D+01 -0.333251D+01  0.179579D+01 -0.837738D+00
      3   0.128529D+01 -0.333251D+01 -0.198729D+01  0.323711D+01 -0.714558D+00
               111           112           113           114           115 
      1   0.323711D+01  0.257423D+01 -0.268806D+01 -0.166463D+01  0.613160D+01
      2  -0.714558D+00 -0.268806D+01  0.479434D+01  0.375742D+01 -0.309125D+01
      3  -0.136825D+01 -0.166463D+01  0.375742D+01  0.362816D+01 -0.318913D+01
               116           117           118           119           120 
      1  -0.309125D+01 -0.318913D+01 -0.115174D+00 -0.187680D+00 -0.155052D+01
      2   0.543876D+01  0.409319D+01 -0.187680D+00  0.179420D+01 -0.201038D+00
      3   0.409319D+01  0.889781D+01 -0.155052D+01 -0.201038D+00 -0.151280D+00
               121           122           123           124           125 
      1  -0.131593D+01  0.307068D+01 -0.480013D+00 -0.365802D+01  0.622046D+00
      2   0.307068D+01 -0.720115D+01 -0.113797D+00  0.622046D+00 -0.100120D+01
      3  -0.480013D+00 -0.113797D+00 -0.150854D+00 -0.117498D+01  0.153075D+01
               126           127           128           129           130 
      1  -0.117498D+01  0.351008D+01 -0.975908D+00  0.243277D+01 -0.190592D+01
      2   0.153075D+01 -0.975908D+00  0.102889D+01 -0.103040D+01  0.696428D+00
      3  -0.417598D+01  0.243277D+01 -0.103040D+01  0.222065D+01 -0.132823D+01
               131           132           133           134           135 
      1   0.696428D+00 -0.132823D+01  0.267063D+01 -0.118734D+01  0.281670D+01
      2  -0.942233D+00  0.935660D+00 -0.118734D+01  0.176803D+01 -0.205930D+01
      3   0.935660D+00 -0.203917D+01  0.281670D+01 -0.205930D+01  0.494194D+01
               136           137           138           139           140 
      1  -0.212953D+01 -0.640525D+00  0.200819D+01 -0.428354D+00 -0.164522D+00
      2  -0.640525D+00 -0.396084D+00  0.653003D+00 -0.164522D+00 -0.581388D+00
      3   0.200819D+01  0.653003D+00 -0.222286D+01  0.670663D+00  0.786863D+00
               141           142           143           144           145 
      1   0.670663D+00  0.220909D+01  0.971235D+00 -0.260528D+01 -0.385342D+01
      2   0.786863D+00  0.971235D+00  0.171153D+01 -0.230322D+01  0.929403D+00
      3  -0.215047D+01 -0.260528D+01 -0.230322D+01  0.722031D+01 -0.198233D+01
               146           147           148           149           150 
      1   0.929403D+00 -0.198233D+01  0.160926D+01 -0.595386D+00  0.111539D+01
      2  -0.723637D+00  0.562946D+00 -0.595386D+00  0.672277D+00 -0.568821D+00
      3   0.562946D+00 -0.186944D+01  0.111539D+01 -0.568821D+00  0.180166D+01
               151           152           153           154           155 
      1  -0.263845D+01  0.851903D+00 -0.261776D+01  0.209817D+01  0.645618D+00
      2   0.851903D+00 -0.117392D+01  0.134152D+01  0.645618D+00  0.332235D+00
      3  -0.261776D+01  0.134152D+01 -0.478805D+01 -0.191816D+01 -0.296283D+00
               156           157           158           159           160 
      1  -0.191816D+01  0.227836D+00  0.150002D+00 -0.519183D+00 -0.251084D+01
      2  -0.296283D+00  0.150002D+00  0.316968D+00 -0.494860D+00 -0.842106D+00
      3   0.207972D+01 -0.519183D+00 -0.494860D+00  0.182051D+01  0.273778D+01
               161           162           163           164           165 
      1  -0.842106D+00  0.273778D+01  0.171563D+01 -0.469963D+00 -0.162970D+01
      2  -0.119229D+01  0.134654D+01 -0.469963D+00  0.978934D+00  0.490457D+00
      3   0.134654D+01 -0.721191D+01 -0.162970D+01  0.490457D+00  0.140986D+01
               166           167           168           169           170 
      1   0.105387D+01  0.154489D+01  0.489342D+00 -0.499349D+01  0.776781D+00
      2   0.154489D+01 -0.126224D+01 -0.122896D+01  0.776781D+00 -0.205602D+01
      3   0.489342D+00 -0.122896D+01 -0.140008D+01  0.303069D+01 -0.259720D+01
               171           172           173           174           175 
      1   0.303069D+01  0.336448D+01 -0.181249D+01  0.107437D+01 -0.273070D+01
      2  -0.259720D+01 -0.181249D+01  0.237665D+01 -0.414173D+00  0.317278D+01
      3  -0.648537D+01  0.107437D+01 -0.414173D+00  0.763458D+00 -0.604143D+00
               176           177           178           179           180 
      1   0.317278D+01 -0.604143D+00  0.481065D+01 -0.999869D+00  0.128056D+01
      2  -0.541171D+01  0.145224D+01 -0.999869D+00  0.289336D+01 -0.162930D+01
      3   0.145224D+01 -0.124990D+01  0.128056D+01 -0.162930D+01  0.103280D+01
               181           182           183           184           185 
      1   0.132805D+02 -0.145829D+01 -0.151317D+01 -0.340498D+01  0.108071D+01
      2  -0.145829D+01  0.130250D+01  0.193249D+00  0.108071D+01 -0.103880D+01
      3  -0.151317D+01  0.193249D+00  0.152429D+01  0.128256D+00 -0.640157D+00
               186           187           188           189           190 
      1   0.128256D+00 -0.223733D+01 -0.128150D-01  0.188192D+01 -0.659881D+01
      2  -0.640157D+00 -0.128150D-01 -0.753965D+00  0.136804D+00  0.352426D+00
      3  -0.978559D-01  0.188192D+01  0.136804D+00 -0.268154D+00  0.633120D+00
               191           192           193           194           195 
      1   0.352426D+00  0.633120D+00  0.723935D+00 -0.509415D+00 -0.564741D+00
      2  -0.140293D+01 -0.836842D+00 -0.509415D+00  0.965458D+00  0.833437D+00
      3  -0.836842D+00 -0.210866D+01 -0.564741D+00  0.833437D+00  0.446742D+00
               196           197           198           199           200 
      1   0.917081D+00 -0.303181D+00 -0.685162D+00  0.411578D+01  0.303901D+01
      2  -0.303181D+00  0.648423D+00  0.109313D+00  0.303901D+01  0.301473D+01
      3  -0.685162D+00  0.109313D+00  0.110590D+01  0.214040D+01  0.126864D+01
               201           202           203           204           205 
      1   0.214040D+01  0.401496D+01  0.384459D+01  0.193084D+01  0.120211D+01
      2   0.126864D+01  0.384459D+01  0.521422D+01  0.261956D+01  0.863832D+00
      3   0.190036D+01  0.193084D+01  0.261956D+01  0.219466D+01  0.146964D+01
               206           207           208           209           210 
      1   0.863832D+00  0.146964D+01  0.127587D+01 -0.610089D+00  0.153480D+01
      2   0.136004D+01  0.113636D+01 -0.610089D+00  0.129974D+01 -0.649105D+00
      3   0.113636D+01  0.133050D+01  0.153480D+01 -0.649105D+00  0.159619D+01
               211           212           213           214           215 
      1  -0.161527D+01  0.125640D+01 -0.136466D+01  0.170437D+01 -0.636339D+00
      2   0.125640D+01 -0.321657D+01  0.254104D+01 -0.636339D+00  0.215155D+01
      3  -0.136466D+01  0.254104D+01 -0.375716D+01  0.158890D+01 -0.204906D+01
               216           217           218           219           220 
      1   0.158890D+01  0.342585D+00  0.377073D+00 -0.105580D+01 -0.992447D-01
      2  -0.204906D+01  0.377073D+00  0.581333D+00 -0.706790D-01  0.330712D+00
      3   0.409581D+01 -0.105580D+01 -0.706790D-01  0.108585D+01  0.142056D+00
               221           222           223           224           225 
      1   0.330712D+00  0.142056D+00 -0.170303D+01 -0.362189D+00  0.142481D+01
      2  -0.911288D-01 -0.594608D+00 -0.362189D+00 -0.145599D+01  0.348747D+00
      3  -0.594608D+00 -0.139538D+01  0.142481D+01  0.348747D+00 -0.885527D+01
               226           227           228           229           230 
      1   0.364119D+01  0.360353D+01 -0.102587D+00  0.361028D+01  0.433774D+01
      2   0.360353D+01  0.414533D+01 -0.254764D+00  0.433774D+01  0.745478D+01
      3  -0.102587D+00 -0.254764D+00  0.103070D+01 -0.216936D+00 -0.187744D+00
               231           232           233           234           235 
      1  -0.216936D+00  0.101422D+01  0.757352D+00  0.767477D+00 -0.669929D+01
      2  -0.187744D+00  0.757352D+00  0.154505D+01  0.611295D+00  0.567606D+00
      3   0.841975D+00  0.767477D+00  0.611295D+00 -0.184750D+00  0.593404D+00
               236           237           238           239           240 
      1   0.567606D+00  0.593404D+00  0.923156D+00 -0.100139D+01  0.175397D+00
      2  -0.238534D+01  0.415122D+00 -0.100139D+01  0.152390D+01  0.114435D+00
      3   0.415122D+00 -0.118619D+01  0.175397D+00  0.114435D+00  0.217919D+00
               241           242           243           244           245 
      1   0.878339D+00 -0.460036D-01 -0.392883D+00  0.205204D-01 -0.852276D+00
      2  -0.460036D-01  0.710775D+00  0.117760D+00 -0.852276D+00 -0.648043D+00
      3  -0.392883D+00  0.117760D+00 -0.421377D+00  0.116437D+01  0.213454D+00
               246           247           248           249           250 
      1   0.116437D+01 -0.135994D+01 -0.111082D+01  0.368033D+00  0.285448D+01
      2   0.213454D+00 -0.111082D+01 -0.929760D+00  0.111225D+01  0.401224D+00
      3  -0.113816D+01  0.368033D+00  0.111225D+01 -0.154232D+01 -0.181450D+01
               251           252           253           254           255 
      1   0.401224D+00 -0.181450D+01  0.755791D+01 -0.106574D+01 -0.202050D+01
      2   0.161395D+01 -0.131327D+01 -0.106574D+01 -0.304763D+01 -0.981780D+00
      3  -0.131327D+01  0.522526D+01 -0.202050D+01 -0.981780D+00 -0.144216D+01
               256           257           258           259           260 
      1  -0.401325D+01 -0.255681D+01 -0.119971D+01 -0.649859D+01 -0.129356D+01
      2  -0.255681D+01  0.536287D+01 -0.286677D+00 -0.129356D+01 -0.163951D+01
      3  -0.119971D+01 -0.286677D+00 -0.220853D+01 -0.186078D+01 -0.224107D+01
               261           262           263           264           265 
      1  -0.186078D+01 -0.125166D+01  0.152460D+01 -0.662046D+00  0.263189D+01
      2  -0.224107D+01  0.152460D+01 -0.172543D+01  0.461806D+00 -0.361626D+01
      3   0.290245D+01 -0.662046D+00  0.461806D+00 -0.504901D+00  0.952770D+00
               266           267           268           269           270 
      1  -0.361626D+01  0.952770D+00 -0.111401D+00 -0.244382D+00 -0.340251D+00
      2   0.933569D+01 -0.200374D+01 -0.244382D+00  0.417505D+00  0.621939D+00
      3  -0.200374D+01  0.183649D+01 -0.340251D+00  0.621939D+00 -0.804352D+00
               271           272           273           274           275 
      1  -0.223374D+00  0.423489D+00 -0.376877D+00  0.147165D+01  0.255348D+00
      2   0.423489D+00  0.493789D+00  0.219389D+00  0.255348D+00  0.271251D+00
      3  -0.376877D+00  0.219389D+00  0.406843D+00  0.374624D+00 -0.550112D+00
               276           277           278           279           280 
      1   0.374624D+00 -0.208064D+01 -0.270081D+00 -0.785930D+00 -0.149562D+02
      2  -0.550112D+00 -0.270081D+00 -0.131365D+01  0.258048D+00 -0.157666D+01
      3   0.128341D+01 -0.785930D+00  0.258048D+00 -0.606666D+01 -0.193595D+00
               281           282           283           284           285 
      1  -0.157666D+01 -0.193595D+00  0.105553D+01 -0.104827D+01  0.149050D+00
      2  -0.142088D+01 -0.168851D+00 -0.104827D+01 -0.531513D+00  0.917433D-01
      3  -0.168851D+00 -0.112459D+01  0.149050D+00  0.917433D-01  0.340328D+00
               286           287           288           289           290 
      1   0.216082D+01  0.424949D+00 -0.100153D+01  0.108515D-01 -0.651361D+00
      2   0.424949D+00  0.543923D+00  0.888517D-01 -0.651361D+00  0.187493D+01
      3  -0.100153D+01  0.888517D-01  0.596502D-01  0.247373D+00  0.349475D+00
               291           292           293           294           295 
      1   0.247373D+00 -0.178290D+01 -0.717506D+00 -0.174375D+00  0.973552D+00
      2   0.349475D+00 -0.717506D+00 -0.936661D+01 -0.980474D+00  0.262236D+00
      3   0.431025D+00 -0.174375D+00 -0.980474D+00 -0.115911D+01  0.406564D-01
               296           297 
      1   0.262236D+00  0.406564D-01
      2   0.569434D+00 -0.729308D+00
      3  -0.729308D+00 -0.373991D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.192048D+01  0.125402D+01  0.336434D+01  0.962320D+01  0.186956D+01
      2  -0.104684D+01 -0.181232D+01  0.346273D+01 -0.421738D+01 -0.176110D+01
      3   0.160240D+02 -0.143749D+01 -0.157164D+01  0.134818D+02  0.162874D+01
                 6             7             8             9            10 
      1  -0.223735D+01  0.243968D+01  0.359750D+01 -0.540560D-01 -0.298517D+01
      2   0.867952D+00 -0.382272D+01  0.600982D+00 -0.410993D+00 -0.172484D+00
      3  -0.520096D+01 -0.141033D+02 -0.235945D+01 -0.984849D+00 -0.408372D+02
                11            12            13            14            15 
      1  -0.624308D+00  0.150407D+01  0.226261D+01  0.415844D+01 -0.918626D+01
      2   0.663281D+00 -0.260195D+01  0.493173D+01  0.149157D+00 -0.169904D+00
      3  -0.133754D+01  0.156962D+01  0.107537D+02 -0.230967D+01 -0.823340D+00
                16            17            18            19            20 
      1  -0.375117D+01 -0.258449D+01 -0.383492D+01 -0.224273D+01 -0.897390D+00
      2  -0.237632D+02 -0.163185D+01 -0.363793D+01 -0.862307D+00 -0.239730D+01
      3  -0.530882D-01 -0.624263D+00 -0.105911D+01 -0.162982D+02 -0.642965D+00
                21            22            23            24            25 
      1  -0.191916D+01 -0.507415D+01  0.171457D+01  0.760533D+00 -0.110776D+01
      2   0.757046D+01 -0.317649D+01  0.170486D+01 -0.191522D+01 -0.674270D+01
      3   0.289519D+01  0.160119D+02 -0.761362D+00  0.261651D+01 -0.124198D+02
                26            27            28            29            30 
      1   0.315545D+01  0.206361D+01  0.406923D-02  0.210502D+01 -0.276394D+01
      2  -0.826102D+00  0.136449D+01  0.404330D+01  0.787922D+00 -0.386924D+01
      3   0.402561D+01  0.188747D+01  0.368823D+02 -0.530697D+00 -0.252641D+01
                31            32            33            34            35 
      1  -0.431267D+00  0.401342D+01 -0.957408D+01 -0.549140D+01 -0.128022D+01
      2   0.392019D+01 -0.191126D+00  0.220336D+01 -0.264702D+02  0.490383D+01
      3   0.746617D+01  0.549153D+01  0.112250D+01 -0.747878D+01 -0.123915D+01
                36            37            38            39            40 
      1  -0.278017D+01  0.268965D+00  0.122184D+01 -0.169247D+01  0.560022D+01
      2   0.165009D+01 -0.557903D+01 -0.120570D+01  0.386770D+01 -0.418786D+01
      3   0.196209D+01 -0.132618D+02 -0.726580D+00  0.283682D+01  0.696060D+01
                41            42            43            44            45 
      1  -0.206278D+01 -0.321815D+01  0.411892D+01  0.150257D+01 -0.188358D+01
      2  -0.218388D+01  0.117619D+01 -0.284832D+00 -0.727996D-01 -0.245453D+01
      3   0.145776D+01 -0.254404D+01  0.206161D+02 -0.179570D+01 -0.441177D+01
                46            47            48            49            50 
      1   0.144804D+01 -0.205907D+01  0.121439D+01 -0.800053D+01 -0.234402D+01
      2   0.449730D+01 -0.255472D+01  0.891576D+01 -0.253165D+01  0.220643D+01
      3   0.204363D+02 -0.237921D+01  0.275356D+01  0.730333D+01 -0.168333D+01
                51            52            53            54            55 
      1  -0.236965D+01 -0.132417D+01  0.215145D+01 -0.710292D-01  0.155634D+01
      2  -0.345230D+01 -0.389050D+01 -0.116960D+01  0.273633D+01 -0.639947D+01
      3   0.282771D+01  0.158690D+02  0.499753D+00  0.251474D+01  0.262470D+02
                56            57            58            59            60 
      1   0.148933D+01 -0.313218D+00  0.357627D+01 -0.328842D+01  0.315131D+01
      2  -0.277270D+00 -0.358937D+01 -0.326987D+01 -0.114867D+02  0.915759D+01
      3   0.124093D+02 -0.399271D+00  0.396309D+02  0.871930D+01  0.787709D+01
                61            62            63            64            65 
      1  -0.337102D+00  0.801137D+01  0.423668D+01 -0.164992D+01  0.429399D-01
      2  -0.201275D+02  0.104005D+02  0.154884D+02  0.110755D+02 -0.433805D+00
      3   0.298046D+01  0.101377D+02 -0.597001D+01 -0.283736D+02 -0.152868D+02
                66            67            68            69            70 
      1  -0.846095D+00 -0.287371D+01 -0.210817D+01 -0.234224D+01  0.272092D+01
      2   0.659022D+01  0.412595D+01  0.145865D+02 -0.124443D+02 -0.855763D+00
      3   0.182517D+01 -0.277105D+02 -0.929117D+01 -0.125551D+02 -0.559453D+01
                71            72            73            74            75 
      1   0.517736D+01  0.182621D+01 -0.203135D+01 -0.649050D+01  0.892008D+00
      2  -0.103837D+02 -0.163009D+02 -0.181461D+02  0.555007D+01  0.277560D+01
      3  -0.135522D+02  0.805844D+01  0.182433D+02  0.919533D+01 -0.276296D+01
                76            77            78            79            80 
      1  -0.936715D+01  0.117863D+01 -0.143484D+02  0.720450D+00 -0.752223D+01
      2   0.694079D+01 -0.101774D+02  0.122202D+02  0.288119D+01  0.101905D+02
      3   0.177083D+02  0.251327D+01  0.164651D+02 -0.284995D+01  0.126570D+02
                81            82            83            84            85 
      1   0.389873D+01  0.588590D+01  0.413236D+01  0.169049D+01  0.600507D+01
      2   0.972534D+01  0.956056D+00 -0.404846D+01 -0.267550D+01 -0.729467D+01
      3  -0.100225D+02  0.253631D+02  0.356834D+01 -0.193977D+01  0.773678D+01
                86            87            88            89            90 
      1   0.920664D+01 -0.507780D+01  0.328027D+01  0.227517D+01 -0.164570D+02
      2  -0.131038D+02  0.114280D+02 -0.589053D+01  0.731748D+01  0.207831D+02
      3   0.326121D+01  0.909110D+01  0.111189D+01  0.103565D+02 -0.770810D+01
                91            92            93            94            95 
      1   0.142606D+01 -0.158336D+01  0.159029D+01  0.284749D+00 -0.168790D+01
      2  -0.107054D+02  0.729478D+00 -0.116088D+01  0.282245D+00 -0.413715D+01
      3  -0.727793D+01 -0.268223D+00 -0.738621D+00  0.338262D+02 -0.169910D+02
                96            97            98            99           100 
      1  -0.243319D+01  0.630108D+00  0.537333D+01 -0.623709D-01  0.133945D+01
      2  -0.956973D+01 -0.158962D+02 -0.853470D+01  0.115249D+02  0.472393D+01
      3  -0.141180D+01  0.137824D+01 -0.756841D+00  0.597143D+01  0.139859D+02
               101           102           103           104           105 
      1   0.186174D+01 -0.384980D+01  0.102053D+01 -0.231708D+01  0.325146D+01
      2  -0.377116D+01  0.786430D+01 -0.128318D+01  0.444235D+01  0.190474D+02
      3  -0.159319D+02  0.206363D+01 -0.850279D+01  0.134495D+01 -0.308121D+01
               106           107           108           109           110 
      1  -0.257694D+01 -0.421182D+01  0.536366D+01 -0.377764D+01 -0.221520D+01
      2  -0.643037D+00  0.123669D+02  0.844190D+01 -0.838541D+01  0.199358D+01
      3   0.125366D+02 -0.160050D+02 -0.973573D+01 -0.364403D+00 -0.382372D+00
               111           112           113           114           115 
      1   0.221231D+01 -0.212588D+01  0.498471D+01 -0.765214D+01  0.195330D+00
      2   0.430236D+01 -0.215793D+01 -0.996465D+01 -0.148733D+02  0.107208D+01
      3   0.243510D-02 -0.350949D+01  0.190455D+02  0.117202D+02 -0.121819D+02
               116           117           118           119           120 
      1   0.832308D+01 -0.107459D+02  0.327712D+01  0.965413D-01  0.989421D-01
      2  -0.117871D+02 -0.306552D+02  0.484956D+01  0.602132D+00  0.206572D+01
      3   0.192678D+02  0.121870D+02 -0.314812D+01  0.490423D+01 -0.316655D+01
               121           122           123           124           125 
      1   0.892818D-01  0.306256D+01 -0.764020D+00 -0.111654D+01  0.722687D+01
      2   0.214016D+01  0.203155D+01 -0.681698D+00 -0.124871D+01 -0.428423D+01
      3   0.902247D+01 -0.205784D+02 -0.140184D+01  0.103880D+01 -0.425104D+01
               126           127           128           129           130 
      1   0.741819D+01  0.320110D+01  0.151724D+01  0.299119D+01 -0.192232D+01
      2   0.152880D+02 -0.492092D+01 -0.219154D+00  0.631430D-02  0.144794D+01
      3   0.553554D+01 -0.569561D+01 -0.126199D+01 -0.247894D+01  0.405653D+01
               131           132           133           134           135 
      1   0.223926D+00 -0.372620D+01  0.309782D+01  0.146292D+01  0.515284D+01
      2   0.151038D+00 -0.123626D+01 -0.295308D+01 -0.527585D+00  0.215622D+01
      3   0.746672D+00  0.830594D+00 -0.349004D+01 -0.165416D+01 -0.187163D+01
               136           137           138           139           140 
      1   0.209571D+01 -0.101943D+01 -0.253706D+01  0.105728D+01  0.153271D+00
      2   0.449980D+01  0.343380D+00 -0.807924D+00  0.587944D+00 -0.217979D-01
      3   0.309660D+01  0.126524D-01 -0.208495D+01  0.186570D+01 -0.268609D+00
               141           142           143           144           145 
      1  -0.365574D+01 -0.196359D+01  0.236706D+01  0.633834D+01 -0.237697D+01
      2   0.621632D+00 -0.482613D+01 -0.488675D+00 -0.636119D+00 -0.883578D+01
      3  -0.731462D+00 -0.285453D+01  0.921692D+00  0.228374D+01  0.458275D+00
               146           147           148           149           150 
      1   0.325963D+01 -0.887837D+00  0.138846D+01 -0.164049D+01 -0.603141D+00
      2   0.144935D+01 -0.133797D+01  0.214693D+01 -0.776022D+00  0.313882D+00
      3  -0.145097D+01  0.796581D+00  0.766004D+00  0.120736D+01 -0.178668D+00
               151           152           153           154           155 
      1  -0.201677D+01  0.428626D+01 -0.309208D+01 -0.262266D+01 -0.237448D+01
      2  -0.511720D+01  0.541044D+00  0.418194D+00  0.503652D+01  0.127313D+01
      3   0.804040D+00 -0.250766D+01  0.161995D+01 -0.761939D+00 -0.104091D+01
               156           157           158           159           160 
      1   0.133185D+01 -0.481546D+00 -0.126303D+01 -0.261260D+00  0.353222D+01
      2  -0.862163D+00  0.457922D+00  0.132391D+00  0.365960D+00 -0.547938D+01
      3   0.103758D+01  0.110667D+01 -0.291757D+00  0.283300D+00  0.151775D+01
               161           162           163           164           165 
      1   0.565822D+01 -0.557107D+01 -0.120526D+01 -0.553756D+00  0.145684D+01
      2  -0.676718D+00 -0.220889D+01 -0.601460D+01  0.871607D+00  0.576377D+01
      3   0.238056D+01 -0.185855D+01 -0.120001D+01 -0.420267D+01  0.606594D+00
               166           167           168           169           170 
      1  -0.180779D+00 -0.996454D-01 -0.240155D+01  0.266874D+01  0.111498D+01
      2   0.179203D+01 -0.310356D+01 -0.499143D+01  0.497021D+01 -0.909715D+01
      3  -0.496134D+01  0.238878D+01  0.286018D+01  0.395776D+01  0.629014D+01
               171           172           173           174           175 
      1  -0.705016D+01  0.167796D+01 -0.129303D+01  0.189203D+01 -0.229948D+01
      2  -0.217895D+02  0.666514D+01 -0.250062D+01  0.510378D+01 -0.305404D+01
      3   0.431147D+01  0.224195D+01 -0.734616D+01  0.219295D+00 -0.495226D+01
               176           177           178           179           180 
      1   0.381679D+01 -0.491147D+01  0.177905D+01 -0.198792D+01  0.304118D+01
      2   0.732316D+01 -0.593881D+01  0.419396D+01 -0.668948D+01  0.440372D+01
      3   0.147738D+02 -0.393722D+01 -0.335861D+01 -0.933215D+01  0.376383D+01
               181           182           183           184           185 
      1   0.274431D+00 -0.542079D+00 -0.282070D+00  0.125097D+00  0.439686D+00
      2  -0.334082D+01  0.532044D+00  0.980038D+01 -0.458991D+00 -0.302663D+01
      3   0.544233D+01 -0.925493D+01 -0.795565D+00 -0.123844D+01  0.481917D+01
               186           187           188           189           190 
      1  -0.109428D+01 -0.439144D+00  0.108933D+01 -0.151239D+00 -0.187496D+01
      2   0.347217D-01  0.568995D+01  0.754062D+00 -0.490283D+00  0.202659D+02
      3   0.318082D+01  0.677508D+00  0.405393D+01 -0.101352D+01 -0.101170D+02
               191           192           193           194           195 
      1  -0.292180D+01  0.145686D+01 -0.118534D+01  0.341399D+00 -0.132580D+00
      2  -0.344887D+01 -0.822089D+01 -0.282128D+01  0.475224D+01  0.215184D+01
      3   0.387590D+01  0.412404D+01  0.413207D+01 -0.315575D+01 -0.336208D+01
               196           197           198           199           200 
      1   0.101501D+01  0.218732D+01 -0.362145D+00  0.333229D+01  0.533488D+01
      2  -0.787346D+01  0.891771D+00  0.502258D+01  0.232435D+01  0.352274D+00
      3   0.211614D+01 -0.212188D+01 -0.136530D+01 -0.887903D+01 -0.118066D+02
               201           202           203           204           205 
      1  -0.670232D+00  0.563229D+01  0.766104D+01 -0.241831D-01  0.106333D+01
      2   0.644469D+01 -0.223295D+00  0.482500D+01  0.738822D+01  0.212490D+01
      3  -0.355297D+01 -0.100428D+02 -0.194453D+02 -0.924811D+01 -0.156331D+01
               206           207           208           209           210 
      1   0.307292D+01  0.585211D+00 -0.233819D+01  0.332612D+01 -0.202993D+01
      2   0.262503D+01  0.337548D+01  0.536012D+01 -0.145460D+01  0.511833D+01
      3  -0.523562D+01 -0.357867D+01  0.224276D+01 -0.600249D+01  0.313107D+01
               211           212           213           214           215 
      1   0.269673D+01 -0.976214D+01  0.540020D+01 -0.221150D+01  0.824752D+01
      2  -0.106586D+01  0.872822D+01 -0.141569D+02  0.960613D+00 -0.754002D+01
      3  -0.299638D+01  0.140006D+02 -0.984756D+01  0.241090D+01 -0.899283D+01
               216           217           218           219           220 
      1  -0.610503D+01  0.140990D+01 -0.668905D+00 -0.165875D+01 -0.260277D+00
      2   0.140833D+02 -0.454228D+01 -0.250887D+00  0.350980D+01 -0.541801D+00
      3   0.834720D+01 -0.235908D+01 -0.248087D+01 -0.865871D+00 -0.269146D+00
               221           222           223           224           225 
      1   0.189664D+01  0.216720D+01 -0.148285D+01  0.529106D+01  0.160856D+02
      2  -0.182336D+01 -0.542270D+01 -0.785770D+00  0.432741D+00 -0.309918D+02
      3   0.135090D+01  0.175028D+01 -0.127125D+01  0.518051D+01 -0.120363D+01
               226           227           228           229           230 
      1  -0.409114D+01 -0.463504D+01 -0.333253D+01 -0.554459D+01 -0.860315D+01
      2   0.331214D+01  0.244390D+01  0.569081D+01  0.355149D+01  0.366528D+01
      3  -0.730360D+01 -0.116516D+02  0.127407D+01 -0.632533D+01 -0.220154D+02
               231           232           233           234           235 
      1  -0.416496D+01 -0.215107D+01 -0.147873D+01 -0.780691D+00 -0.547696D+00
      2   0.409509D+01  0.322980D+01  0.257846D+01  0.133334D+00 -0.843530D+01
      3   0.542263D+00 -0.842033D+00 -0.530036D+01 -0.116008D+01 -0.214408D+02
               236           237           238           239           240 
      1   0.216520D+01  0.288161D+01  0.104148D+01 -0.148069D+01 -0.110237D+01
      2   0.214738D+01 -0.159807D+01  0.195734D+01 -0.109663D+01 -0.142849D+00
      3   0.768343D+01 -0.359121D+00  0.694483D+01 -0.646688D+01 -0.426399D+00
               241           242           243           244           245 
      1   0.158280D+01  0.711481D+00  0.182398D+00 -0.122345D+00 -0.478029D+00
      2  -0.289943D+01 -0.199589D+00 -0.190811D+01 -0.496970D+01 -0.389197D+00
      3   0.143283D+01 -0.258431D+01 -0.135162D+01 -0.306243D+01 -0.212992D+01
               246           247           248           249           250 
      1  -0.616414D+00 -0.108276D+00  0.262094D+00 -0.176375D+01 -0.618339D+00
      2   0.388746D+01  0.281774D+00 -0.275597D+01  0.517512D+01  0.474260D+00
      3   0.968657D-01 -0.472902D+00 -0.213102D+01  0.286763D+01 -0.127429D+01
               251           252           253           254           255 
      1   0.252462D+01  0.236039D+01 -0.159950D+01  0.786003D+00 -0.211796D+01
      2   0.412721D+01 -0.160888D+02  0.185200D+02  0.420317D+01  0.794970D+01
      3   0.468159D+01 -0.292870D+01 -0.155718D+02 -0.117653D+02 -0.362254D+00
               256           257           258           259           260 
      1  -0.118107D+01 -0.598526D+01 -0.558257D+01 -0.112294D+01 -0.105899D+01
      2   0.341913D+01 -0.476409D+00  0.773029D+01  0.524244D+01  0.871624D+01
      3  -0.263107D+01  0.244433D+02  0.131618D+01  0.247387D+01 -0.204659D+01
               261           262           263           264           265 
      1   0.798149D+01  0.357282D+00  0.370759D+00  0.107383D+01  0.489592D+00
      2  -0.158901D+02  0.155084D+01 -0.106867D+01  0.163965D+01 -0.168838D+01
      3  -0.621082D+01  0.307460D+01 -0.397064D+01  0.142178D+01 -0.676182D+01
               266           267           268           269           270 
      1  -0.302731D+01 -0.422769D+01 -0.609105D+00  0.978855D+00 -0.544416D+00
      2   0.544693D+01 -0.644930D+01  0.395729D+00 -0.139021D+01  0.207668D+01
      3   0.292788D+02 -0.621261D+01 -0.485862D+00  0.159002D+01  0.186342D+01
               271           272           273           274           275 
      1  -0.171602D+01 -0.832728D+00  0.409318D+00 -0.141460D+00 -0.249647D+01
      2   0.453137D+01  0.233969D+00 -0.217973D+01  0.156105D+01  0.291766D+01
      3   0.204281D+01  0.941832D+00  0.833031D+00  0.582978D+00  0.101949D+01
               276           277           278           279           280 
      1   0.186362D+01 -0.205977D+00  0.464394D+01 -0.102257D+02  0.766367D+00
      2  -0.542519D+01 -0.263096D+01 -0.212556D+01  0.240716D+02 -0.918338D+01
      3  -0.239194D+01  0.130443D+01 -0.464134D+01  0.265097D+01  0.149264D+02
               281           282           283           284           285 
      1   0.804872D+00 -0.198137D+01  0.769436D+00  0.471040D+00  0.510316D-01
      2  -0.156982D+00  0.824211D+01 -0.661923D+00 -0.955155D+00 -0.129930D+01
      3  -0.685219D+01 -0.764965D+00 -0.406138D+01 -0.590535D+00  0.337144D+00
               286           287           288           289           290 
      1  -0.162513D+01  0.924094D+00 -0.983086D-01  0.940098D+00 -0.579390D+00
      2   0.380902D+01 -0.709878D+00 -0.434715D+00 -0.911073D+00 -0.165449D+01
      3  -0.141327D+01  0.171451D+01  0.188086D+01 -0.408476D+01  0.653792D+01
               291           292           293           294           295 
      1   0.143847D+01 -0.245372D+00  0.617968D+01 -0.397682D+01  0.636717D+00
      2  -0.148144D+01 -0.910016D+00  0.397863D+01  0.419168D+01 -0.156508D+01
      3   0.351865D+00  0.380096D+01 -0.321818D+02 -0.256986D+01 -0.991811D+00
               296           297 
      1  -0.218150D+00 -0.134036D+00
      2   0.235904D+01  0.138970D+01
      3   0.124320D+01 -0.240357D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.713501D+01  0.989234D+01 -0.208203D+02 -0.114344D+01 -0.136844D+02
      2   0.242411D+01 -0.848388D+01  0.691463D+01 -0.705939D+01  0.222563D+02
      3   0.471089D+01 -0.140846D+01  0.139057D+02  0.820283D+01 -0.857189D+01
      4   0.104819D+02 -0.840032D+00  0.653409D+01  0.875777D+01 -0.597450D+01
      5  -0.112681D+02  0.576452D+01 -0.125855D+01  0.101929D+02  0.284880D+01
      6   0.442280D+01  0.443634D+01 -0.403769D+01 -0.789264D+00 -0.643336D+01
                 6             7             8             9            10 
      1   0.649728D+01  0.367328D+02 -0.211803D+01  0.897538D+01  0.561735D+02
      2  -0.123207D+02 -0.112100D+02 -0.121156D+01 -0.511725D+01 -0.266236D+02
      3   0.582341D+01 -0.255228D+02  0.332959D+01 -0.385813D+01 -0.295499D+02
      4   0.193009D+01 -0.284031D+01  0.830211D+00  0.696723D+01 -0.103540D+02
      5   0.721262D+01  0.433550D+01  0.703058D+01 -0.546077D+01 -0.859377D+01
      6   0.418156D+01  0.110922D+02 -0.295878D+01  0.644419D+01  0.236854D+01
                11            12            13            14            15 
      1   0.883928D+01 -0.199966D+01  0.135424D+02 -0.180245D+01  0.417664D+01
      2  -0.839813D+01  0.391589D+01 -0.142485D+02  0.724383D+01 -0.717857D+00
      3  -0.441152D+00 -0.191623D+01  0.706076D+00 -0.544137D+01 -0.345878D+01
      4   0.639730D+00 -0.379337D+01  0.170246D+02 -0.757705D+01 -0.106848D+01
      5  -0.456397D+01  0.918238D+01  0.109672D+02  0.939792D-01 -0.382792D+01
      6   0.915354D+00 -0.748091D+01 -0.418704D+01  0.363554D+01  0.872040D+01
                16            17            18            19            20 
      1  -0.973280D+01  0.438713D+01 -0.171923D+02  0.754152D+01 -0.120329D+02
      2   0.140220D-01  0.470531D+01  0.135078D+01  0.327475D+00  0.120030D+02
      3   0.971878D+01 -0.909244D+01  0.158415D+02 -0.786899D+01  0.299549D-01
      4   0.128098D+02 -0.590268D+00 -0.322776D+01 -0.854090D+01  0.299147D+00
      5  -0.125963D+02 -0.407670D+01 -0.366551D+01  0.118838D+02  0.179315D+01
      6  -0.632629D+01  0.173386D+01 -0.330868D+01 -0.162431D+01 -0.568697D+01
                21            22            23            24            25 
      1   0.189622D+02  0.435757D+01 -0.119258D+02 -0.450125D+01 -0.180499D+02
      2  -0.115532D+02  0.402055D+01  0.180141D+02 -0.109707D+02  0.105884D+01
      3  -0.740902D+01 -0.837812D+01 -0.608836D+01  0.154719D+02  0.169911D+02
      4   0.241151D+01  0.144637D+02  0.608875D+01 -0.204186D+01 -0.183924D+01
      5  -0.105211D+02 -0.912918D-01 -0.124340D+01 -0.164719D+01  0.800205D+01
      6   0.546109D+01 -0.464211D+00 -0.750710D+01  0.591519D+01 -0.105898D+02
                26            27            28            29            30 
      1  -0.337180D+01  0.768019D+01  0.205454D+02 -0.452286D+01  0.260433D+01
      2  -0.323684D+01 -0.820464D+00 -0.493970D+01  0.791448D+01  0.500733D+00
      3   0.660863D+01 -0.685973D+01 -0.156057D+02 -0.339162D+01 -0.310507D+01
      4  -0.192942D+01 -0.647117D+01  0.188438D+02  0.905828D+00 -0.218742D+01
      5  -0.623265D+01  0.803129D+01  0.321212D+01 -0.173419D+01  0.651189D+01
      6   0.971365D+00  0.824232D+01  0.353847D+01 -0.107372D+01  0.589562D+01
                31            32            33            34            35 
      1  -0.390638D+01 -0.138599D+01  0.670581D+01 -0.669735D+01  0.796157D+01
      2   0.836241D+01  0.524716D+01 -0.186719D+01  0.168833D+01  0.288726D+01
      3  -0.445603D+01 -0.386117D+01 -0.483863D+01  0.500902D+01 -0.108488D+02
      4   0.142764D+02  0.114295D+01  0.134759D+01  0.933649D+01  0.531699D+01
      5   0.115597D+02  0.196494D+00  0.157517D+01 -0.152432D+02  0.388762D+01
      6  -0.141442D+01  0.331691D+01  0.609783D+01 -0.422298D+00  0.932083D+00
                36            37            38            39            40 
      1  -0.154206D+02 -0.238889D+01  0.328152D+01 -0.220070D+02 -0.940967D+01
      2   0.226260D+01 -0.166769D+01 -0.158662D+01  0.604633D+01 -0.198948D+01
      3   0.131580D+02  0.405657D+01 -0.169490D+01  0.159606D+02  0.113992D+02
      4   0.279353D+01  0.352885D+01 -0.884667D+00  0.338586D+01  0.453558D+01
      5   0.694954D+00 -0.153169D+02  0.288585D+01 -0.211885D+01  0.121765D+01
      6  -0.696361D+01  0.298120D+01  0.534860D+01  0.637889D+01  0.276195D+01
                41            42            43            44            45 
      1  -0.530462D+01 -0.590950D+01  0.212550D+02 -0.805304D+01  0.552253D+01
      2   0.565045D+01  0.366003D+00  0.281348D-01  0.175429D+01 -0.764875D+00
      3  -0.345828D+00  0.554349D+01 -0.212831D+02  0.629875D+01 -0.475766D+01
      4  -0.813586D+00  0.340879D+01  0.323136D+01  0.360864D+01  0.555394D+01
      5   0.145282D+01  0.747466D+01  0.995712D+01  0.499392D+01 -0.636639D+01
      6   0.322804D+01  0.850566D+01  0.101797D+02  0.241854D+01  0.101730D+02
                46            47            48            49            50 
      1   0.530327D+00 -0.664568D+01  0.177923D+02  0.141468D+02 -0.214319D+01
      2   0.654417D+01  0.286776D+01 -0.698732D+01 -0.382891D+01  0.257693D+01
      3  -0.707450D+01  0.377792D+01 -0.108050D+02 -0.103179D+02 -0.433744D+00
      4  -0.150697D+01  0.368138D+01 -0.200246D+01  0.971461D+01  0.533106D+01
      5   0.178037D+02 -0.290683D+00 -0.781294D+01 -0.848413D+01 -0.405881D+01
      6   0.240419D+00 -0.371100D+01  0.909622D-02 -0.216646D+01  0.445871D+01
                51            52            53            54            55 
      1  -0.171950D+02 -0.228288D+02 -0.893038D+01  0.434527D+01 -0.316487D+02
      2   0.292174D+01  0.346173D+01  0.235553D+01  0.498694D+01  0.141192D+02
      3   0.142733D+02  0.193671D+02  0.657485D+01 -0.933221D+01  0.175295D+02
      4  -0.452821D+01  0.396031D+01 -0.217502D+01 -0.438126D+01 -0.486181D+01
      5  -0.264422D+01  0.817390D+01 -0.359813D+01  0.708926D+01 -0.397321D+01
      6   0.133886D+02 -0.528896D+01  0.589907D+01  0.126419D+02  0.416477D+00
                56            57            58            59            60 
      1  -0.886613D+01 -0.441852D+01 -0.337193D+02 -0.229106D+02  0.217556D+01
      2   0.641192D+01 -0.125769D+00  0.238028D+02  0.553427D+01  0.588273D+01
      3   0.245421D+01  0.454429D+01  0.991655D+01  0.173764D+02 -0.805828D+01
      4  -0.270112D+02  0.108561D+01 -0.455283D+02  0.145552D+02 -0.151877D+02
      5   0.756074D+00 -0.137466D+02  0.997810D-01 -0.149276D+02  0.167368D+02
      6  -0.505527D-01  0.183880D+01 -0.950475D+00  0.433915D+01 -0.593711D+01
                61            62            63            64            65 
      1  -0.138372D+02  0.154022D+01 -0.291756D+01 -0.903462D+02  0.291690D+02
      2  -0.286801D+01  0.705292D+01  0.676977D+01  0.491925D+02 -0.133158D+02
      3   0.167052D+02 -0.859314D+01 -0.385221D+01  0.411537D+02 -0.158533D+02
      4   0.131561D+00 -0.193005D+02  0.282018D+02  0.273659D+02  0.239204D+02
      5  -0.251512D+02  0.248746D+02  0.359523D+02  0.228507D+02 -0.249017D+01
      6   0.122709D+02 -0.608873D+01 -0.108626D+02  0.122706D+01 -0.269466D+01
                66            67            68            69            70 
      1   0.227164D+02  0.631134D+02  0.220040D+02 -0.755031D+01  0.333122D+02
      2  -0.128368D+02 -0.287604D+02 -0.962595D+01  0.790482D+01 -0.132019D+02
      3  -0.987967D+01 -0.343530D+02 -0.123780D+02 -0.354512D+00 -0.201103D+02
      4  -0.142638D+01  0.301910D+02  0.101356D+02  0.225649D+02  0.246888D+01
      5   0.828939D+01 -0.179750D+01  0.238835D+02 -0.226205D+02  0.153678D+00
      6   0.167954D+01  0.240614D+01  0.648059D+01 -0.415883D+01 -0.317954D+01
                71            72            73            74            75 
      1  -0.391066D+01  0.245721D+01  0.377338D+02 -0.233649D+02 -0.188395D+02
      2   0.797702D+01 -0.159634D+01 -0.204651D+02  0.503997D+01  0.104050D+02
      3  -0.406636D+01 -0.860871D+00 -0.172686D+02  0.183250D+02  0.843450D+01
      4   0.207892D+02 -0.176116D+02 -0.215968D+02 -0.320970D+02 -0.556706D+01
      5  -0.179047D+02 -0.306821D+02 -0.104003D+02 -0.771003D+01 -0.177515D+02
      6  -0.516064D+01 -0.496504D+01 -0.149528D+02 -0.893752D+01 -0.465555D+00
                76            77            78            79            80 
      1  -0.308490D+02 -0.275540D+02 -0.114726D+01 -0.219388D+02  0.128690D+01
      2   0.648344D+01  0.176869D+02 -0.127907D+02  0.112535D+02 -0.124557D+02
      3   0.243656D+02  0.986702D+01  0.139380D+02  0.106853D+02  0.111688D+02
      4  -0.418709D+02 -0.144058D+02 -0.371684D+02 -0.205808D+01 -0.268606D+02
      5  -0.859022D+01 -0.439119D+02  0.233762D+02 -0.112613D+02  0.202681D+02
      6  -0.151422D+02 -0.674565D+01 -0.976979D+01  0.178945D+01 -0.835907D+01
                81            82            83            84            85 
      1  -0.106714D+02  0.379198D+02 -0.218806D+02 -0.115296D+02 -0.299418D+02
      2   0.132033D+01 -0.363848D+02  0.358583D+00  0.548367D+01  0.759346D+00
      3   0.935109D+01 -0.153502D+01  0.215220D+02  0.604595D+01  0.291824D+02
      4   0.177833D+02 -0.174167D+02 -0.378092D+02 -0.836476D+00 -0.394922D+02
      5   0.819139D+01 -0.147719D+02  0.528920D+01 -0.501796D+01  0.309706D+01
      6   0.130047D+02  0.107102D+01  0.404908D+01 -0.272567D+01  0.288245D+01
                86            87            88            89            90 
      1  -0.255781D+02  0.770436D+01 -0.126484D+02  0.219561D+01  0.179082D+00
      2  -0.119668D+01 -0.515293D+01  0.343564D+00 -0.607861D+01  0.235711D+02
      3   0.267748D+02 -0.255143D+01  0.123048D+02  0.388300D+01 -0.237502D+02
      4  -0.342587D+02 -0.137432D+02 -0.100171D+02 -0.205343D+02  0.107663D+02
      5  -0.114850D+02  0.219968D+02 -0.407926D+01  0.140485D+02  0.498870D+02
      6  -0.580517D+01  0.109778D+02 -0.133838D+01  0.101420D+02  0.102182D+02
                91            92            93            94            95 
      1   0.138591D+01 -0.112902D+01 -0.550200D+01 -0.704913D+01 -0.152610D+02
      2  -0.408294D+01 -0.255092D+01  0.768447D+00  0.867810D+01  0.751160D+01
      3   0.269702D+01  0.367994D+01  0.473355D+01 -0.162898D+01  0.774940D+01
      4  -0.146808D+02 -0.140341D+02 -0.395436D+01 -0.343517D+02  0.173608D+02
      5  -0.158318D+02 -0.262553D+01 -0.979748D+01 -0.101619D+02 -0.590443D+01
      6  -0.104235D+01 -0.594961D+01 -0.683630D+01 -0.165050D+01  0.300218D+01
                96            97            98            99           100 
      1  -0.701155D+01 -0.182659D+02 -0.705417D+01 -0.391711D+01  0.877707D+01
      2   0.356152D+01  0.352789D+01 -0.996651D+00  0.626335D+01 -0.337741D+01
      3   0.345003D+01  0.147380D+02  0.805082D+01 -0.234625D+01 -0.539966D+01
      4  -0.555078D+01 -0.169764D+02 -0.641327D+01 -0.200514D+02  0.900903D+01
      5  -0.191593D+02 -0.183478D+02 -0.192198D+02  0.222835D+02  0.101513D+02
      6  -0.224559D+01 -0.907026D+01 -0.461419D+01  0.840491D+01 -0.503538D+01
               101           102           103           104           105 
      1   0.193496D+01  0.278786D+01  0.143123D+02  0.542726D+01  0.168268D+01
      2  -0.109146D+00 -0.219263D+01 -0.143493D+02  0.433244D+00  0.449895D+01
      3  -0.182582D+01 -0.595227D+00  0.370218D-01 -0.586051D+01 -0.618163D+01
      4   0.205175D+01 -0.357253D+01 -0.771525D+00 -0.114018D+02  0.815100D+01
      5  -0.513600D+01 -0.330601D+01 -0.118458D+02  0.103504D+02  0.364300D+02
      6   0.409074D+01  0.749556D+01  0.537267D+01 -0.113414D+02 -0.207898D+02
               106           107           108           109           110 
      1   0.142013D+02 -0.525917D+00 -0.613897D-01  0.176003D+02 -0.140317D+02
      2   0.156093D+01 -0.133398D+02  0.408975D+01 -0.105799D+02  0.649392D+01
      3  -0.157622D+02  0.138657D+02 -0.402836D+01 -0.702049D+01  0.753774D+01
      4  -0.156696D+02  0.341467D+02  0.240410D+02 -0.193246D+02  0.172515D+02
      5  -0.221925D+02  0.252011D+02  0.167067D+02 -0.283898D+02  0.888495D+01
      6   0.141392D+02 -0.233162D+02 -0.118464D+02  0.116540D+02 -0.283922D+01
               111           112           113           114           115 
      1  -0.213782D+02 -0.124444D+02 -0.860774D+01 -0.720925D+01 -0.258321D+02
      2   0.139121D+02  0.327230D+01  0.183616D+02  0.369159D+01  0.144340D+02
      3   0.746610D+01  0.917211D+01 -0.975386D+01  0.351766D+01  0.113981D+02
      4   0.118855D+02  0.271333D+02 -0.335876D+02 -0.229730D+02  0.260062D+02
      5   0.212874D+02  0.182472D+02 -0.253613D+02 -0.300761D+02  0.367910D+02
      6  -0.508733D+01 -0.803852D+01  0.248469D+02  0.274947D+02 -0.149347D+02
               116           117           118           119           120 
      1  -0.525807D+01 -0.646706D+01  0.908726D+01 -0.539082D+01  0.130561D+02
      2   0.978915D+01 -0.150198D+02 -0.704723D+01  0.910412D+01 -0.876245D+01
      3  -0.453109D+01  0.214869D+02 -0.204003D+01 -0.371330D+01 -0.429364D+01
      4  -0.362079D+02 -0.257299D+02 -0.847384D+00 -0.659498D+01 -0.339004D+01
      5  -0.289279D+02 -0.658100D+02  0.119185D+02  0.127546D+01  0.738588D+01
      6   0.290843D+02  0.366679D+02 -0.453511D+01 -0.178453D+01 -0.152137D+01
               121           122           123           124           125 
      1   0.230215D-01 -0.324360D+01  0.356650D+01  0.175212D+02  0.199405D+01
      2   0.106290D+02 -0.192130D+02  0.201727D+00 -0.107730D+02 -0.657772D+00
      3  -0.106521D+02  0.224566D+02 -0.376823D+01 -0.674818D+01 -0.133627D+01
      4  -0.182751D+02  0.489753D+02  0.516998D-01 -0.756174D+01  0.659010D+01
      5   0.160303D+01 -0.136359D+00 -0.228626D+01  0.188715D+02 -0.115077D+02
      6  -0.386270D+01  0.352407D+01  0.732163D+01 -0.516575D+01  0.143963D+02
               126           127           128           129           130 
      1  -0.139931D+01  0.298391D+01  0.289912D+01 -0.161330D+01 -0.376442D+00
      2  -0.808726D+01 -0.247690D+01 -0.329845D+01 -0.159244D+01  0.840537D+00
      3   0.948657D+01 -0.507011D+00  0.399332D+00  0.320574D+01 -0.464095D+00
      4  -0.106840D+02 -0.997547D+01  0.808534D+01 -0.790323D+01  0.555218D+01
      5   0.311448D+02  0.155549D+02 -0.549359D+01  0.140928D+02 -0.788082D+01
      6  -0.182978D+02 -0.827225D+01  0.626609D+01 -0.869895D+01  0.558247D+01
               131           132           133           134           135 
      1  -0.401740D+01  0.489769D+01 -0.367607D+01  0.829682D+01 -0.145946D+02
      2   0.248605D+01 -0.187213D+00 -0.191443D+01 -0.465896D+01 -0.203132D+01
      3   0.153135D+01 -0.471048D+01  0.559050D+01 -0.363786D+01  0.166259D+02
      4  -0.599335D+01  0.586181D+01 -0.850881D+01  0.788953D+01 -0.104655D+02
      5   0.514955D+01 -0.834619D+01  0.154060D+02 -0.767654D+01  0.204921D+02
      6  -0.652875D+01  0.884569D+01 -0.103387D+02  0.123506D+02 -0.187540D+02
               136           137           138           139           140 
      1  -0.263386D+01 -0.199368D+01  0.577203D+01 -0.222887D+01 -0.462861D+01
      2  -0.267146D+01  0.651222D+00  0.270751D+01 -0.487688D+00  0.124309D+01
      3   0.530532D+01  0.134246D+01 -0.847954D+01  0.271655D+01  0.338552D+01
      4   0.543186D+01  0.373133D+01 -0.540586D+01  0.215572D+01  0.174248D+01
      5  -0.887746D+01 -0.336878D+01  0.114002D+02 -0.321849D+01 -0.232254D+01
      6  -0.588414D+01 -0.371991D+01  0.652788D+01 -0.280928D+01 -0.505369D+01
               141           142           143           144           145 
      1   0.800113D+01  0.717478D+01  0.107952D+02 -0.287925D+02  0.363769D+01
      2   0.350269D+00  0.192309D+01 -0.353098D+01 -0.528102D+01 -0.590464D+01
      3  -0.835140D+01 -0.909787D+01 -0.726422D+01  0.340735D+02  0.226695D+01
      4  -0.270917D+01 -0.595366D+01 -0.539714D+01  0.782948D+01 -0.103567D+01
      5   0.356066D+01  0.106764D+02  0.492114D+01 -0.162374D+02  0.118765D+02
      6   0.857593D+01  0.846998D+01  0.131677D+02 -0.235334D+02 -0.421806D+00
               146           147           148           149           150 
      1   0.268089D+00 -0.162069D+01  0.640899D+00 -0.153589D+01  0.500830D+01
      2   0.883590D+00 -0.470614D+01  0.203245D+01 -0.297573D+00  0.272795D+01
      3  -0.115168D+01  0.632683D+01 -0.267335D+01  0.183346D+01 -0.773625D+01
      4   0.361256D+01 -0.736935D+00  0.261245D+01 -0.313783D+01  0.936138D+00
      5  -0.266925D+01  0.101750D+02 -0.441514D+01  0.305305D+01 -0.621174D+01
      6   0.185083D+01 -0.586874D+00  0.625539D+00 -0.289947D+01  0.203375D+01
               151           152           153           154           155 
      1  -0.308765D+01  0.382768D+01 -0.136003D+02  0.322046D+00  0.813661D+00
      2  -0.614547D+01  0.128300D+01 -0.950991D+01 -0.558729D+01 -0.146093D+01
      3   0.923312D+01 -0.511068D+01  0.231102D+02  0.526524D+01  0.647269D+00
      4  -0.107488D+01  0.284226D+01 -0.149766D+01  0.131213D+01  0.285193D+01
      5   0.128299D+02 -0.377315D+01  0.160479D+02 -0.981747D+01 -0.219695D+01
      6  -0.125743D+01  0.491559D+01 -0.276566D+01  0.807387D+00 -0.176771D+01
               156           157           158           159           160 
      1   0.305517D+01 -0.209021D+01 -0.276058D+01  0.658932D+01  0.312366D+01
      2   0.578460D+01 -0.427038D+00 -0.489050D+00  0.288228D+01  0.752561D+01
      3  -0.883977D+01  0.251725D+01  0.324963D+01 -0.947159D+01 -0.106493D+02
      4  -0.418585D+00  0.135718D+01  0.969919D+00 -0.142603D+01 -0.197887D+01
      5   0.122445D+02 -0.212860D+01 -0.255947D+01  0.346174D+01  0.133679D+02
      6  -0.176121D+01 -0.103694D+01 -0.235780D+01  0.159764D+01  0.111616D-01
               161           162           163           164           165 
      1   0.292545D+01 -0.228442D+02  0.978890D+01 -0.278046D+01 -0.847638D+01
      2   0.224509D+01 -0.160908D+02 -0.769279D+01  0.817806D+00  0.617018D+01
      3  -0.517054D+01  0.389350D+02 -0.209611D+01  0.196266D+01  0.230619D+01
      4  -0.371054D+01  0.174442D+01 -0.655016D+01  0.105510D+02  0.677841D+01
      5   0.375994D+01 -0.210437D+02 -0.153361D+02  0.509393D+01  0.161593D+02
      6   0.552342D+01  0.529739D+00  0.447196D+01 -0.190309D+01 -0.315885D+01
               166           167           168           169           170 
      1   0.391865D+01  0.106491D+01 -0.265768D+01 -0.174314D+02 -0.417719D+01
      2  -0.314470D+01  0.104922D+01  0.123613D+01  0.142074D+02  0.106671D+01
      3  -0.773946D+00 -0.211414D+01  0.142154D+01  0.322394D+01  0.311048D+01
      4   0.121060D+02 -0.103680D+02 -0.883611D+01  0.136627D+02 -0.161790D+02
      5   0.488884D+01 -0.881069D+01 -0.985466D+01  0.284085D+02 -0.192216D+02
      6  -0.330548D+01  0.643332D+01  0.953075D+01 -0.973258D+01  0.124439D+02
               171           172           173           174           175 
      1  -0.319813D+01  0.201763D+02 -0.100086D+02  0.629492D+01 -0.117435D+02
      2  -0.111826D+02 -0.443118D+01 -0.167451D+00 -0.181343D+01 -0.318006D+01
      3   0.143807D+02 -0.157451D+02  0.101761D+02 -0.448149D+01  0.149236D+02
      4  -0.225034D+02 -0.219649D+02  0.251967D+02 -0.581017D+01  0.324642D+02
      5  -0.484905D+02  0.897951D+01 -0.387822D+01  0.814321D+01 -0.523684D+01
      6   0.189410D+02 -0.299507D+01  0.609604D+00 -0.193978D+01  0.236141D+01
               176           177           178           179           180 
      1   0.345995D+01 -0.448964D+00  0.191245D+02 -0.519126D+00  0.244924D+01
      2   0.172981D+02 -0.422930D+01 -0.511696D+01 -0.699903D+01 -0.683262D-01
      3  -0.207580D+02  0.467826D+01 -0.140076D+02  0.751816D+01 -0.238092D+01
      4  -0.449678D+02  0.118364D+02 -0.159245D+02  0.240666D+02 -0.140150D+02
      5   0.107530D+02 -0.961372D+01  0.109347D+02 -0.123209D+02  0.817958D+01
      6  -0.470972D+01  0.590603D+01 -0.459837D+01  0.643464D+01 -0.429885D+01
               181           182           183           184           185 
      1   0.142341D+03 -0.172621D+02 -0.159448D+02 -0.273568D+02  0.133170D+02
      2  -0.722938D+02  0.904423D+01  0.779287D+01  0.135097D+02 -0.482891D+01
      3  -0.700470D+02  0.821791D+01  0.815190D+01  0.138471D+02 -0.848804D+01
      4  -0.128900D+02  0.147834D+02  0.151152D+01  0.170476D+02 -0.877874D+01
      5  -0.184547D+02  0.216345D+01  0.176009D+02  0.231308D+01 -0.579723D+01
      6   0.656100D+00 -0.117584D+01  0.153773D+01 -0.129008D+01 -0.502006D-01
               186           187           188           189           190 
      1   0.281800D+01 -0.194019D+02  0.200600D+01  0.158022D+02 -0.453774D+02
      2  -0.198578D+01  0.110061D+02 -0.194783D+01 -0.981457D+01  0.226265D+02
      3  -0.832223D+00  0.839576D+01 -0.581735D-01 -0.598762D+01  0.227508D+02
      4  -0.540473D+01  0.431030D+00 -0.534552D+01 -0.372273D-01 -0.484045D+01
      5  -0.846649D+00  0.227321D+02 -0.338918D+00 -0.453019D+01 -0.108386D+02
      6   0.244239D+01 -0.101056D-01  0.269376D+01  0.758526D+00  0.566658D+01
               191           192           193           194           195 
      1   0.100164D+02  0.134702D+02  0.924189D+01 -0.683363D+01 -0.542645D+01
      2  -0.608571D+01 -0.168051D+01 -0.426383D+01  0.442912D+01  0.359369D+01
      3  -0.393066D+01 -0.117897D+02 -0.497806D+01  0.240450D+01  0.183276D+01
      4  -0.365954D+01 -0.143333D+01  0.282644D+01  0.351359D+01  0.542560D+01
      5  -0.152799D+01 -0.861107D+01  0.808382D+00  0.484778D+01  0.286507D+00
      6  -0.574550D+01 -0.693917D+01 -0.168904D+01  0.412089D+01  0.507450D+01
               196           197           198           199           200 
      1   0.102100D+02 -0.295109D+01 -0.845208D+01  0.323498D+02  0.196411D+02
      2  -0.265475D+01  0.166632D+01  0.120451D+00 -0.139022D+02 -0.456972D+01
      3  -0.755525D+01  0.128476D+01  0.833162D+01 -0.184476D+02 -0.150714D+02
      4   0.734207D+00  0.378582D+01 -0.131809D+01  0.325382D+02  0.317485D+02
      5   0.282155D+01 -0.126327D+01  0.391750D+01  0.260886D+02  0.162597D+02
      6  -0.311067D+01  0.417604D+01  0.208103D+01  0.119847D+02  0.115842D+02
               201           202           203           204           205 
      1   0.125673D+02  0.258304D+02  0.146264D+02  0.587701D+01  0.724744D+01
      2  -0.901748D+01 -0.698697D+01  0.329116D+01 -0.323410D+01 -0.606670D+01
      3  -0.354979D+01 -0.188434D+02 -0.179176D+02 -0.264291D+01 -0.118074D+01
      4   0.132005D+02  0.396005D+02  0.477867D+02  0.232127D+02  0.945799D+01
      5   0.217544D+02  0.245982D+02  0.270037D+02  0.220707D+02  0.174794D+02
      6   0.804628D+01  0.150013D+02  0.204921D+02  0.149973D+02  0.697407D+01
               206           207           208           209           210 
      1   0.173457D+01  0.597109D+01  0.107578D+02 -0.577220D+01  0.117292D+02
      2  -0.153900D+01 -0.550232D+01 -0.887360D+01  0.545791D+01 -0.107216D+02
      3  -0.195577D+00 -0.468770D+00 -0.188417D+01  0.314285D+00 -0.100760D+01
      4   0.121380D+02  0.110164D+02 -0.646208D+01  0.126376D+02 -0.556294D+01
      5   0.116034D+02  0.141896D+02  0.166530D+02 -0.767432D+01  0.183371D+02
      6   0.102795D+02  0.732359D+01 -0.121405D+01  0.426880D+01 -0.165108D+01
               211           212           213           214           215 
      1  -0.127609D+02  0.619910D+01 -0.395826D+01  0.113548D+02 -0.154692D+01
      2   0.114097D+02 -0.839216D+01  0.149294D+02 -0.118866D+02  0.989669D+01
      3   0.135121D+01  0.219306D+01 -0.109711D+02  0.531811D+00 -0.834977D+01
      4   0.130492D+02 -0.260478D+02  0.210610D+02 -0.534017D+01  0.166105D+02
      5  -0.166513D+02  0.238483D+02 -0.336599D+02  0.197726D+02 -0.184990D+02
      6   0.493150D+01 -0.118688D+02  0.910863D+01 -0.215240D+01  0.984942D+01
               216           217           218           219           220 
      1   0.206630D+01  0.149928D+01  0.223047D+01 -0.797439D+01 -0.169914D+01
      2  -0.188366D+02 -0.256992D+01  0.430603D+00  0.663234D+01  0.305242D+01
      3   0.167703D+02  0.107064D+01 -0.266108D+01  0.134205D+01 -0.135328D+01
      4  -0.166970D+02  0.289055D+01  0.652679D+01 -0.222969D+01  0.406421D+01
      5   0.362200D+02 -0.100671D+02 -0.891883D+00  0.138204D+02  0.207571D+01
      6  -0.716143D+01 -0.224815D+01 -0.129980D+01  0.182072D+01 -0.630884D+00
               221           222           223           224           225 
      1   0.432953D+00  0.138631D-01 -0.997768D+01  0.196244D+01 -0.114266D+02
      2  -0.109725D+01 -0.509485D+01  0.947047D+01 -0.445685D+01 -0.253068D+02
      3   0.664294D+00  0.508099D+01  0.507209D+00  0.249441D+01  0.367334D+02
      4  -0.261500D+00 -0.403209D+01 -0.579654D+01 -0.988924D+01  0.368474D+01
      5  -0.488567D+01 -0.118723D+02  0.182486D+02  0.291471D+01 -0.677303D+02
      6   0.507627D+00  0.271249D+01  0.463704D+01  0.790828D+01 -0.233227D+02
               226           227           228           229           230 
      1   0.258420D+02  0.188130D+02  0.141843D+01  0.191717D+02  0.960661D+01
      2  -0.461499D+00  0.603007D+01  0.447841D+00  0.719875D+01  0.270666D+02
      3  -0.253805D+02 -0.248430D+02 -0.186627D+01 -0.263705D+02 -0.366732D+02
      4   0.388693D+02  0.433812D+02 -0.177620D+01  0.460281D+02  0.667989D+02
      5  -0.425831D+01 -0.543747D+01  0.101479D+02 -0.608630D+01 -0.539360D+01
      6  -0.333980D+01 -0.492732D+01  0.562032D+01 -0.505969D+01 -0.873195D+01
               231           232           233           234           235 
      1  -0.266122D+00  0.675514D+01  0.181574D+01  0.313887D+01 -0.424370D+02
      2   0.858516D+00  0.260272D+00  0.488050D+01 -0.149040D+01  0.280774D+02
      3  -0.592394D+00 -0.701541D+01 -0.669623D+01 -0.164847D+01  0.143596D+02
      4  -0.214942D+01  0.815401D+01  0.131406D+02  0.644789D+01 -0.130727D+02
      5   0.786608D+01  0.692827D+01  0.510998D+01 -0.145999D+01  0.115413D+02
      6   0.689593D+01  0.393441D+01  0.445985D+01  0.405471D+00  0.250947D+00
               236           237           238           239           240 
      1   0.144572D+02  0.827956D+00  0.103971D+02 -0.968704D+01  0.327883D+00
      2  -0.147331D+02 -0.155724D+01 -0.794114D+01  0.119176D+02  0.173356D+00
      3   0.275926D+00  0.729280D+00 -0.245593D+01 -0.223056D+01 -0.501239D+00
      4  -0.496963D+01  0.339499D+01  0.388017D+01  0.539523D+01  0.249537D+00
      5   0.813828D+00 -0.680444D+01 -0.191902D+01  0.183052D+01 -0.108065D+00
      6   0.374463D+01 -0.539249D+01  0.123272D+01 -0.166020D+01  0.121889D+01
               241           242           243           244           245 
      1   0.571871D+01 -0.278190D+01 -0.513843D+01  0.260480D+01  0.374676D+01
      2  -0.324786D+01  0.382419D+01 -0.210500D+00 -0.402275D+01 -0.196038D+01
      3  -0.247085D+01 -0.104230D+01  0.534893D+01  0.141795D+01 -0.178637D+01
      4   0.146523D+01  0.379479D+01 -0.119660D+01  0.624015D+01  0.666402D+01
      5  -0.829871D+00 -0.144144D+00 -0.362562D+01 -0.103521D+02 -0.248186D+01
      6  -0.223643D+01  0.134260D+01 -0.735048D+00 -0.413248D+01 -0.535121D+00
               246           247           248           249           250 
      1  -0.575924D+01  0.477785D+01 -0.389563D+00  0.208066D+01 -0.876187D+01
      2   0.444079D+01 -0.217377D+01  0.137201D+01 -0.154045D+01  0.781583D+01
      3   0.131845D+01 -0.260408D+01 -0.982446D+00 -0.540217D+00  0.946040D+00
      4  -0.331258D+01  0.100159D+02  0.653700D+01 -0.690973D+01 -0.623636D+01
      5   0.118373D+02 -0.348822D+01 -0.709038D+01  0.106981D+02  0.159881D+02
      6   0.251754D+01 -0.203602D+01 -0.590252D+01  0.791338D+01  0.402022D+01
               251           252           253           254           255 
      1   0.216297D+01 -0.480432D+01 -0.809989D+02 -0.506791D+01  0.747656D+01
      2   0.663274D+00 -0.958507D+01  0.412346D+02  0.964430D+01 -0.545762D+01
      3  -0.282624D+01  0.143894D+02  0.397643D+02 -0.457639D+01 -0.201893D+01
      4  -0.110622D+02  0.102426D+02 -0.955949D+01  0.242954D+02  0.100111D+02
      5   0.904227D+01 -0.346194D+02  0.113282D+02  0.738935D+01  0.136678D+02
      6   0.757545D+01 -0.125647D+02  0.888909D+01  0.575230D+01  0.472128D+01
               256           257           258           259           260 
      1   0.151655D+02  0.335965D+02  0.258669D+01  0.276531D+02  0.244326D+01
      2  -0.498103D+01 -0.379250D+02 -0.703032D+01 -0.123731D+02 -0.290323D+01
      3  -0.101844D+02  0.432854D+01  0.444364D+01 -0.152800D+02  0.459979D+00
      4   0.261175D+02 -0.292144D+02  0.442096D+01  0.185113D+02  0.132003D+02
      5   0.113846D+02  0.721381D+01  0.165248D+02  0.189431D+02  0.180313D+02
      6   0.597407D+01 -0.434008D+01  0.556152D+01  0.816166D+01  0.763585D+01
               261           262           263           264           265 
      1   0.142467D+02  0.758789D+01 -0.861919D+01  0.284856D+01 -0.782186D+01
      2   0.580135D+01  0.160511D+01 -0.109144D+01 -0.214989D+00 -0.862993D+01
      3  -0.200480D+02 -0.919300D+01  0.971063D+01 -0.263357D+01  0.164518D+02
      4   0.210279D+02 -0.149047D+02  0.184439D+02 -0.422846D+01  0.305968D+02
      5  -0.195502D+02  0.549417D+01 -0.438098D+01  0.419777D+01 -0.846341D+01
      6  -0.350168D+01 -0.347896D+01  0.319800D+01 -0.166170D+01  0.640413D+01
               266           267           268           269           270 
      1  -0.555346D+01  0.636574D+00  0.544649D+00  0.104965D+01 -0.782091D+00
      2   0.358658D+02 -0.630401D+01 -0.224929D+01  0.382340D+01  0.123175D+01
      3  -0.303123D+02  0.566743D+01  0.170464D+01 -0.487306D+01 -0.449663D+00
      4  -0.641508D+02  0.139301D+02  0.196780D+01 -0.375957D+01 -0.416606D+01
      5   0.150355D+02 -0.123613D+02  0.323167D+01 -0.425625D+01  0.511033D+01
      6  -0.151925D+02  0.893905D+01 -0.192661D+01  0.484498D+01 -0.330297D+01
               271           272           273           274           275 
      1   0.555971D+01 -0.315608D+00  0.492060D+01 -0.762928D+01 -0.571174D+01
      2  -0.541232D+01 -0.849867D+00 -0.179105D+01  0.400203D+01  0.316933D+01
      3  -0.147390D+00  0.116548D+01 -0.312955D+01  0.362725D+01  0.254241D+01
      4  -0.145578D+01 -0.336857D+01 -0.496751D+00 -0.294031D+01 -0.273200D+01
      5   0.244025D+01 -0.168903D+01 -0.290966D+00 -0.455412D+01  0.301979D+01
      6  -0.657542D+00 -0.156816D+01 -0.112434D+01 -0.731657D+00 -0.437490D+00
               276           277           278           279           280 
      1  -0.262780D+00  0.116134D+02 -0.155026D+00 -0.112074D+02  0.128228D+03
      2   0.480970D+01 -0.765614D+01  0.442868D+01 -0.156332D+02 -0.610922D+02
      3  -0.454692D+01 -0.395724D+01 -0.427365D+01  0.268406D+02 -0.671359D+02
      4   0.336545D+01  0.538059D+01  0.955244D+01 -0.288185D+01  0.403993D+02
      5  -0.959322D+01  0.109288D+02 -0.201223D+01  0.430445D+02  0.100402D+02
      6   0.947920D+00  0.173372D+01  0.399170D+01  0.125250D+02 -0.522438D+00
               281           282           283           284           285 
      1   0.950794D+01 -0.123282D+01 -0.728727D+01  0.623568D+01 -0.307859D+00
      2  -0.922814D+00 -0.383600D+00  0.598798D+01  0.765661D-01  0.662783D+00
      3  -0.858512D+01  0.161642D+01  0.129929D+01 -0.631225D+01 -0.354923D+00
      4   0.186195D+02  0.981720D+00  0.116942D+02  0.547780D+01 -0.970822D+00
      5   0.154571D+01  0.138022D+02 -0.137073D+01 -0.709169D+00 -0.224216D+01
      6   0.186250D+01  0.380666D+01  0.452611D+00  0.527445D+00  0.236523D+00
               286           287           288           289           290 
      1  -0.169524D+02 -0.164531D+01  0.823910D+01  0.191947D+01  0.123871D+02
      2   0.716490D+01 -0.135910D+00 -0.633725D+01  0.144611D+01 -0.126758D+02
      3   0.978754D+01  0.178122D+01 -0.190185D+01 -0.336559D+01  0.288748D+00
      4  -0.696234D+01 -0.466288D+01  0.117015D+01  0.359051D+01 -0.658080D+01
      5   0.117323D+02 -0.450955D+00 -0.598546D+00 -0.174250D+01 -0.610736D+00
      6   0.298367D+01  0.725393D+00 -0.439482D+00 -0.290120D+00 -0.260687D+01
               291           292           293           294           295 
      1   0.185330D+00  0.117113D+02 -0.301370D+02 -0.286936D+01 -0.410694D+01
      2  -0.213251D+00 -0.337598D+01  0.526568D+02  0.292432D+01  0.935046D+00
      3   0.279204D-01 -0.833536D+01 -0.225198D+02 -0.549597D-01  0.317189D+01
      4  -0.207248D+01  0.134103D+02  0.605201D+02  0.647269D+01 -0.297091D+01
      5  -0.262624D+01  0.333035D+01  0.401670D+01  0.770052D+01  0.432412D+00
      6  -0.228773D+01  0.792601D+00  0.117159D+02  0.813322D+01 -0.579723D-01
               296           297 
      1  -0.762315D+00 -0.510163D+01
      2  -0.152629D+01  0.360261D+01
      3   0.228861D+01  0.149903D+01
      4  -0.428524D+01  0.366453D+01
      5   0.439763D+01  0.221467D+01
      6   0.663057D+01  0.132610D+01
 Leave Link  716 at Mon Sep 27 21:12:50 2021, MaxMem=  6442450944 cpu:               0.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.217446D+03 -0.133994D+01 -0.473295D+00
      2  -0.133994D+01  0.142029D+03 -0.693647D+01
      3  -0.473295D+00 -0.693647D+01  0.160374D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.432402D+01 -0.665826D+01  0.204742D+02
      2   0.106504D+02 -0.817071D+01  0.466636D+02
      3  -0.126248D+03 -0.357634D+02  0.121407D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.170153D+03  0.569747D+02 -0.366479D+01
      2  -0.939966D+02 -0.290449D+02  0.156955D+02
      3  -0.761563D+02 -0.279298D+02 -0.120307D+02
      4  -0.211399D+02  0.676609D+02 -0.257601D+02
      5  -0.775644D+01 -0.283433D+02  0.100306D+03
      6  -0.117365D+02  0.120077D+02 -0.249927D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.931551D+01  0.612245D+00  0.105226D+01 -0.183864D+01  0.155022D+01
      2   0.612245D+00  0.179752D+01 -0.689680D+00  0.155022D+01 -0.336268D+01
      3   0.105226D+01 -0.689680D+00  0.276109D+01  0.187520D+01  0.222193D+01
                 6             7             8             9            10 
      1   0.187520D+01  0.129566D+02  0.164049D+01 -0.946184D+00  0.319717D+02
      2   0.222193D+01  0.164049D+01 -0.684072D-01  0.141555D+01  0.174258D+01
      3   0.105168D+01 -0.946184D+00  0.141555D+01  0.957559D+00 -0.139157D+01
                11            12            13            14            15 
      1   0.174258D+01 -0.139157D+01 -0.584078D+00  0.437325D+01  0.114277D+01
      2   0.186474D+01 -0.755884D+00  0.437325D+01 -0.122054D+01 -0.103156D+00
      3  -0.755884D+00  0.304555D+01  0.114277D+01 -0.103156D+00 -0.807337D+00
                16            17            18            19            20 
      1  -0.322696D+01  0.848602D+00  0.134865D+01  0.126256D+02 -0.654719D+00
      2   0.848602D+00  0.272634D+00 -0.108461D+01 -0.654719D+00 -0.242215D+01
      3   0.134865D+01 -0.108461D+01 -0.659874D+00 -0.126101D+01  0.138794D+01
                21            22            23            24            25 
      1  -0.126101D+01 -0.406111D+01 -0.159468D+01 -0.200273D+00  0.113308D+02
      2   0.138794D+01 -0.159468D+01 -0.276190D+01  0.247910D+01 -0.192160D+01
      3  -0.165342D+01 -0.200273D+00  0.247910D+01  0.186938D+01  0.281726D+00
                26            27            28            29            30 
      1  -0.192160D+01  0.281726D+00 -0.297486D+02  0.708659D+00  0.106166D+01
      2   0.127547D+01  0.133065D+01  0.708659D+00 -0.164508D+01  0.288169D+00
      3   0.133065D+01  0.148589D+01  0.106166D+01  0.288169D+00 -0.277711D+01
                31            32            33            34            35 
      1   0.299923D+01 -0.495172D+01 -0.159973D+01  0.312180D+01 -0.142014D+01
      2  -0.495172D+01  0.787398D+00  0.413936D+00 -0.142014D+01 -0.135181D+00
      3  -0.159973D+01  0.413936D+00  0.115848D+00 -0.710050D+00 -0.873328D+00
                36            37            38            39            40 
      1  -0.710050D+00  0.897898D+01 -0.758657D+00 -0.772363D+00  0.398686D+01
      2  -0.873328D+00 -0.758657D+00 -0.100226D+01 -0.501693D+00 -0.173160D+01
      3   0.522117D+00 -0.772363D+00 -0.501693D+00 -0.294436D+01 -0.108562D+01
                41            42            43            44            45 
      1  -0.173160D+01 -0.108562D+01 -0.131478D+02  0.293395D+00  0.710005D+00
      2   0.224585D+01 -0.223097D+01  0.293395D+00 -0.927526D+00 -0.892042D+00
      3  -0.223097D+01 -0.129344D+01  0.710005D+00 -0.892042D+00 -0.132895D+01
                46            47            48            49            50 
      1  -0.113869D+02  0.692437D+00  0.759833D+00  0.558688D+01  0.217821D+01
      2   0.692437D+00  0.977622D+00  0.252489D-01  0.217821D+01  0.179255D+01
      3   0.759833D+00  0.252489D-01  0.147400D+01 -0.426868D+00 -0.292567D+01
                51            52            53            54            55 
      1  -0.426868D+00 -0.100929D+02  0.401049D+00 -0.511101D+00 -0.156424D+02
      2  -0.292567D+01  0.401049D+00 -0.138389D+01 -0.920198D+00 -0.274161D+01
      3  -0.210713D+01 -0.511101D+00 -0.920198D+00 -0.144733D+01 -0.295855D+00
                56            57            58            59            60 
      1  -0.274161D+01 -0.295855D+00 -0.680493D+01 -0.678790D+01 -0.224421D+00
      2  -0.372046D+01  0.722039D-01 -0.678790D+01  0.578465D+00 -0.193121D+01
      3   0.722039D-01 -0.171729D+01 -0.224421D+00 -0.193121D+01  0.205314D+01
                61            62            63            64            65 
      1  -0.140360D+01 -0.426035D+00 -0.324897D+01 -0.427495D+01  0.425279D+01
      2  -0.426035D+00 -0.248589D+01  0.310970D+01  0.425279D+01  0.283431D+01
      3  -0.324897D+01  0.310970D+01  0.461402D+01  0.221114D+01 -0.283619D+00
                66            67            68            69            70 
      1   0.221114D+01  0.132860D+02  0.503417D+01 -0.100696D+00  0.519856D+01
      2  -0.283619D+00  0.503417D+01  0.180419D+01  0.307776D+01  0.646809D+00
      3   0.773744D+00 -0.100696D+00  0.307776D+01 -0.272779D+01  0.239757D+00
                71            72            73            74            75 
      1   0.646809D+00  0.239757D+00  0.299066D+01 -0.338209D+01 -0.235198D+01
      2   0.314187D+01 -0.242643D+01 -0.338209D+01 -0.336892D+01 -0.454703D-01
      3  -0.242643D+01 -0.396614D+01 -0.235198D+01 -0.454703D-01 -0.142105D+01
                76            77            78            79            80 
      1  -0.515082D+01 -0.454657D+01 -0.351664D-01 -0.297320D+01  0.169168D+00
      2  -0.454657D+01 -0.139062D+01 -0.431875D+01  0.169168D+00 -0.325936D+01
      3  -0.351664D-01 -0.431875D+01  0.289521D+01 -0.493287D+00  0.247248D+01
                81            82            83            84            85 
      1  -0.493287D+00  0.339326D+01 -0.380499D+01 -0.135325D+01 -0.562687D+01
      2   0.247248D+01 -0.380499D+01 -0.356658D+01  0.233479D+00 -0.382155D+01
      3   0.181707D+01 -0.135325D+01  0.233479D+00 -0.921408D+00 -0.241197D+00
                86            87            88            89            90 
      1  -0.382155D+01 -0.241197D+00 -0.184606D+01 -0.863063D+00 -0.768660D+00
      2  -0.300513D+01 -0.223278D+01 -0.863063D+00 -0.290162D+01  0.192245D+01
      3  -0.223278D+01  0.292777D+01 -0.768660D+00  0.192245D+01  0.618649D+01
                91            92            93            94            95 
      1   0.709771D+01  0.152302D+01  0.158748D+01 -0.346250D+01  0.550106D+01
      2   0.152302D+01  0.158401D+01  0.325086D+00  0.550106D+01 -0.372653D+01
      3   0.158748D+01  0.325086D+00  0.148459D+01  0.136168D+01  0.475599D+00
                96            97            98            99           100 
      1   0.136168D+01  0.294440D+01  0.173730D+01  0.224188D+01  0.483597D+00
      2   0.475599D+00  0.173730D+01  0.536342D+00  0.245891D+01 -0.114722D+01
      3   0.210027D+01  0.224188D+01  0.245891D+01 -0.337017D+01 -0.130695D+01
               101           102           103           104           105 
      1  -0.114722D+01 -0.130695D+01  0.429843D+00 -0.934753D+00  0.115451D+01
      2   0.317023D-01  0.735157D+00 -0.934753D+00  0.292031D+01 -0.152050D+01
      3   0.735157D+00  0.563228D+00  0.115451D+01 -0.152050D+01 -0.333866D+01
               106           107           108           109           110 
      1  -0.395677D+01  0.225159D+01  0.128529D+01 -0.227935D+01  0.179579D+01
      2   0.225159D+01 -0.485022D+01 -0.333251D+01  0.179579D+01 -0.837738D+00
      3   0.128529D+01 -0.333251D+01 -0.198729D+01  0.323711D+01 -0.714558D+00
               111           112           113           114           115 
      1   0.323711D+01  0.257423D+01 -0.268806D+01 -0.166463D+01  0.613160D+01
      2  -0.714558D+00 -0.268806D+01  0.479434D+01  0.375742D+01 -0.309125D+01
      3  -0.136825D+01 -0.166463D+01  0.375742D+01  0.362816D+01 -0.318913D+01
               116           117           118           119           120 
      1  -0.309125D+01 -0.318913D+01 -0.115174D+00 -0.187680D+00 -0.155052D+01
      2   0.543876D+01  0.409319D+01 -0.187680D+00  0.179420D+01 -0.201038D+00
      3   0.409319D+01  0.889781D+01 -0.155052D+01 -0.201038D+00 -0.151280D+00
               121           122           123           124           125 
      1  -0.131593D+01  0.307068D+01 -0.480013D+00 -0.365802D+01  0.622046D+00
      2   0.307068D+01 -0.720115D+01 -0.113797D+00  0.622046D+00 -0.100120D+01
      3  -0.480013D+00 -0.113797D+00 -0.150854D+00 -0.117498D+01  0.153075D+01
               126           127           128           129           130 
      1  -0.117498D+01  0.351008D+01 -0.975908D+00  0.243277D+01 -0.190592D+01
      2   0.153075D+01 -0.975908D+00  0.102889D+01 -0.103040D+01  0.696428D+00
      3  -0.417598D+01  0.243277D+01 -0.103040D+01  0.222065D+01 -0.132823D+01
               131           132           133           134           135 
      1   0.696428D+00 -0.132823D+01  0.267063D+01 -0.118734D+01  0.281670D+01
      2  -0.942233D+00  0.935660D+00 -0.118734D+01  0.176803D+01 -0.205930D+01
      3   0.935660D+00 -0.203917D+01  0.281670D+01 -0.205930D+01  0.494194D+01
               136           137           138           139           140 
      1  -0.212953D+01 -0.640525D+00  0.200819D+01 -0.428354D+00 -0.164522D+00
      2  -0.640525D+00 -0.396084D+00  0.653003D+00 -0.164522D+00 -0.581388D+00
      3   0.200819D+01  0.653003D+00 -0.222286D+01  0.670663D+00  0.786863D+00
               141           142           143           144           145 
      1   0.670663D+00  0.220909D+01  0.971235D+00 -0.260528D+01 -0.385342D+01
      2   0.786863D+00  0.971235D+00  0.171153D+01 -0.230322D+01  0.929403D+00
      3  -0.215047D+01 -0.260528D+01 -0.230322D+01  0.722031D+01 -0.198233D+01
               146           147           148           149           150 
      1   0.929403D+00 -0.198233D+01  0.160926D+01 -0.595386D+00  0.111539D+01
      2  -0.723637D+00  0.562946D+00 -0.595386D+00  0.672277D+00 -0.568821D+00
      3   0.562946D+00 -0.186944D+01  0.111539D+01 -0.568821D+00  0.180166D+01
               151           152           153           154           155 
      1  -0.263845D+01  0.851903D+00 -0.261776D+01  0.209817D+01  0.645618D+00
      2   0.851903D+00 -0.117392D+01  0.134152D+01  0.645618D+00  0.332235D+00
      3  -0.261776D+01  0.134152D+01 -0.478805D+01 -0.191816D+01 -0.296283D+00
               156           157           158           159           160 
      1  -0.191816D+01  0.227836D+00  0.150002D+00 -0.519183D+00 -0.251084D+01
      2  -0.296283D+00  0.150002D+00  0.316968D+00 -0.494860D+00 -0.842106D+00
      3   0.207972D+01 -0.519183D+00 -0.494860D+00  0.182051D+01  0.273778D+01
               161           162           163           164           165 
      1  -0.842106D+00  0.273778D+01  0.171563D+01 -0.469963D+00 -0.162970D+01
      2  -0.119229D+01  0.134654D+01 -0.469963D+00  0.978934D+00  0.490457D+00
      3   0.134654D+01 -0.721191D+01 -0.162970D+01  0.490457D+00  0.140986D+01
               166           167           168           169           170 
      1   0.105387D+01  0.154489D+01  0.489342D+00 -0.499349D+01  0.776781D+00
      2   0.154489D+01 -0.126224D+01 -0.122896D+01  0.776781D+00 -0.205602D+01
      3   0.489342D+00 -0.122896D+01 -0.140008D+01  0.303069D+01 -0.259720D+01
               171           172           173           174           175 
      1   0.303069D+01  0.336448D+01 -0.181249D+01  0.107437D+01 -0.273070D+01
      2  -0.259720D+01 -0.181249D+01  0.237665D+01 -0.414173D+00  0.317278D+01
      3  -0.648537D+01  0.107437D+01 -0.414173D+00  0.763458D+00 -0.604143D+00
               176           177           178           179           180 
      1   0.317278D+01 -0.604143D+00  0.481065D+01 -0.999869D+00  0.128056D+01
      2  -0.541171D+01  0.145224D+01 -0.999869D+00  0.289336D+01 -0.162930D+01
      3   0.145224D+01 -0.124990D+01  0.128056D+01 -0.162930D+01  0.103280D+01
               181           182           183           184           185 
      1   0.132805D+02 -0.145829D+01 -0.151317D+01 -0.340498D+01  0.108071D+01
      2  -0.145829D+01  0.130250D+01  0.193249D+00  0.108071D+01 -0.103880D+01
      3  -0.151317D+01  0.193249D+00  0.152429D+01  0.128256D+00 -0.640157D+00
               186           187           188           189           190 
      1   0.128256D+00 -0.223733D+01 -0.128150D-01  0.188192D+01 -0.659881D+01
      2  -0.640157D+00 -0.128150D-01 -0.753965D+00  0.136804D+00  0.352426D+00
      3  -0.978559D-01  0.188192D+01  0.136804D+00 -0.268154D+00  0.633120D+00
               191           192           193           194           195 
      1   0.352426D+00  0.633120D+00  0.723935D+00 -0.509415D+00 -0.564741D+00
      2  -0.140293D+01 -0.836842D+00 -0.509415D+00  0.965458D+00  0.833437D+00
      3  -0.836842D+00 -0.210866D+01 -0.564741D+00  0.833437D+00  0.446742D+00
               196           197           198           199           200 
      1   0.917081D+00 -0.303181D+00 -0.685162D+00  0.411578D+01  0.303901D+01
      2  -0.303181D+00  0.648423D+00  0.109313D+00  0.303901D+01  0.301473D+01
      3  -0.685162D+00  0.109313D+00  0.110590D+01  0.214040D+01  0.126864D+01
               201           202           203           204           205 
      1   0.214040D+01  0.401496D+01  0.384459D+01  0.193084D+01  0.120211D+01
      2   0.126864D+01  0.384459D+01  0.521422D+01  0.261956D+01  0.863832D+00
      3   0.190036D+01  0.193084D+01  0.261956D+01  0.219466D+01  0.146964D+01
               206           207           208           209           210 
      1   0.863832D+00  0.146964D+01  0.127587D+01 -0.610089D+00  0.153480D+01
      2   0.136004D+01  0.113636D+01 -0.610089D+00  0.129974D+01 -0.649105D+00
      3   0.113636D+01  0.133050D+01  0.153480D+01 -0.649105D+00  0.159619D+01
               211           212           213           214           215 
      1  -0.161527D+01  0.125640D+01 -0.136466D+01  0.170437D+01 -0.636339D+00
      2   0.125640D+01 -0.321657D+01  0.254104D+01 -0.636339D+00  0.215155D+01
      3  -0.136466D+01  0.254104D+01 -0.375716D+01  0.158890D+01 -0.204906D+01
               216           217           218           219           220 
      1   0.158890D+01  0.342585D+00  0.377073D+00 -0.105580D+01 -0.992447D-01
      2  -0.204906D+01  0.377073D+00  0.581333D+00 -0.706790D-01  0.330712D+00
      3   0.409581D+01 -0.105580D+01 -0.706790D-01  0.108585D+01  0.142056D+00
               221           222           223           224           225 
      1   0.330712D+00  0.142056D+00 -0.170303D+01 -0.362189D+00  0.142481D+01
      2  -0.911288D-01 -0.594608D+00 -0.362189D+00 -0.145599D+01  0.348747D+00
      3  -0.594608D+00 -0.139538D+01  0.142481D+01  0.348747D+00 -0.885527D+01
               226           227           228           229           230 
      1   0.364119D+01  0.360353D+01 -0.102587D+00  0.361028D+01  0.433774D+01
      2   0.360353D+01  0.414533D+01 -0.254764D+00  0.433774D+01  0.745478D+01
      3  -0.102587D+00 -0.254764D+00  0.103070D+01 -0.216936D+00 -0.187744D+00
               231           232           233           234           235 
      1  -0.216936D+00  0.101422D+01  0.757352D+00  0.767477D+00 -0.669929D+01
      2  -0.187744D+00  0.757352D+00  0.154505D+01  0.611295D+00  0.567606D+00
      3   0.841975D+00  0.767477D+00  0.611295D+00 -0.184750D+00  0.593404D+00
               236           237           238           239           240 
      1   0.567606D+00  0.593404D+00  0.923156D+00 -0.100139D+01  0.175397D+00
      2  -0.238534D+01  0.415122D+00 -0.100139D+01  0.152390D+01  0.114435D+00
      3   0.415122D+00 -0.118619D+01  0.175397D+00  0.114435D+00  0.217919D+00
               241           242           243           244           245 
      1   0.878339D+00 -0.460036D-01 -0.392883D+00  0.205204D-01 -0.852276D+00
      2  -0.460036D-01  0.710775D+00  0.117760D+00 -0.852276D+00 -0.648043D+00
      3  -0.392883D+00  0.117760D+00 -0.421377D+00  0.116437D+01  0.213454D+00
               246           247           248           249           250 
      1   0.116437D+01 -0.135994D+01 -0.111082D+01  0.368033D+00  0.285448D+01
      2   0.213454D+00 -0.111082D+01 -0.929760D+00  0.111225D+01  0.401224D+00
      3  -0.113816D+01  0.368033D+00  0.111225D+01 -0.154232D+01 -0.181450D+01
               251           252           253           254           255 
      1   0.401224D+00 -0.181450D+01  0.755791D+01 -0.106574D+01 -0.202050D+01
      2   0.161395D+01 -0.131327D+01 -0.106574D+01 -0.304763D+01 -0.981780D+00
      3  -0.131327D+01  0.522526D+01 -0.202050D+01 -0.981780D+00 -0.144216D+01
               256           257           258           259           260 
      1  -0.401325D+01 -0.255681D+01 -0.119971D+01 -0.649859D+01 -0.129356D+01
      2  -0.255681D+01  0.536287D+01 -0.286677D+00 -0.129356D+01 -0.163951D+01
      3  -0.119971D+01 -0.286677D+00 -0.220853D+01 -0.186078D+01 -0.224107D+01
               261           262           263           264           265 
      1  -0.186078D+01 -0.125166D+01  0.152460D+01 -0.662046D+00  0.263189D+01
      2  -0.224107D+01  0.152460D+01 -0.172543D+01  0.461806D+00 -0.361626D+01
      3   0.290245D+01 -0.662046D+00  0.461806D+00 -0.504901D+00  0.952770D+00
               266           267           268           269           270 
      1  -0.361626D+01  0.952770D+00 -0.111401D+00 -0.244382D+00 -0.340251D+00
      2   0.933569D+01 -0.200374D+01 -0.244382D+00  0.417505D+00  0.621939D+00
      3  -0.200374D+01  0.183649D+01 -0.340251D+00  0.621939D+00 -0.804352D+00
               271           272           273           274           275 
      1  -0.223374D+00  0.423489D+00 -0.376877D+00  0.147165D+01  0.255348D+00
      2   0.423489D+00  0.493789D+00  0.219389D+00  0.255348D+00  0.271251D+00
      3  -0.376877D+00  0.219389D+00  0.406843D+00  0.374624D+00 -0.550112D+00
               276           277           278           279           280 
      1   0.374624D+00 -0.208064D+01 -0.270081D+00 -0.785930D+00 -0.149562D+02
      2  -0.550112D+00 -0.270081D+00 -0.131365D+01  0.258048D+00 -0.157666D+01
      3   0.128341D+01 -0.785930D+00  0.258048D+00 -0.606666D+01 -0.193595D+00
               281           282           283           284           285 
      1  -0.157666D+01 -0.193595D+00  0.105553D+01 -0.104827D+01  0.149050D+00
      2  -0.142088D+01 -0.168851D+00 -0.104827D+01 -0.531513D+00  0.917433D-01
      3  -0.168851D+00 -0.112459D+01  0.149050D+00  0.917433D-01  0.340328D+00
               286           287           288           289           290 
      1   0.216082D+01  0.424949D+00 -0.100153D+01  0.108515D-01 -0.651361D+00
      2   0.424949D+00  0.543923D+00  0.888517D-01 -0.651361D+00  0.187493D+01
      3  -0.100153D+01  0.888517D-01  0.596502D-01  0.247373D+00  0.349475D+00
               291           292           293           294           295 
      1   0.247373D+00 -0.178290D+01 -0.717506D+00 -0.174375D+00  0.973552D+00
      2   0.349475D+00 -0.717506D+00 -0.936661D+01 -0.980474D+00  0.262236D+00
      3   0.431025D+00 -0.174375D+00 -0.980474D+00 -0.115911D+01  0.406564D-01
               296           297 
      1   0.262236D+00  0.406564D-01
      2   0.569434D+00 -0.729308D+00
      3  -0.729308D+00 -0.373991D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.192048D+01  0.125402D+01  0.336434D+01  0.962320D+01  0.186956D+01
      2  -0.104684D+01 -0.181232D+01  0.346273D+01 -0.421738D+01 -0.176110D+01
      3   0.160240D+02 -0.143749D+01 -0.157164D+01  0.134818D+02  0.162874D+01
                 6             7             8             9            10 
      1  -0.223735D+01  0.243968D+01  0.359750D+01 -0.540560D-01 -0.298517D+01
      2   0.867952D+00 -0.382272D+01  0.600982D+00 -0.410993D+00 -0.172484D+00
      3  -0.520096D+01 -0.141033D+02 -0.235945D+01 -0.984849D+00 -0.408372D+02
                11            12            13            14            15 
      1  -0.624308D+00  0.150407D+01  0.226261D+01  0.415844D+01 -0.918626D+01
      2   0.663281D+00 -0.260195D+01  0.493173D+01  0.149157D+00 -0.169904D+00
      3  -0.133754D+01  0.156962D+01  0.107537D+02 -0.230967D+01 -0.823340D+00
                16            17            18            19            20 
      1  -0.375117D+01 -0.258449D+01 -0.383492D+01 -0.224273D+01 -0.897390D+00
      2  -0.237632D+02 -0.163185D+01 -0.363793D+01 -0.862307D+00 -0.239730D+01
      3  -0.530882D-01 -0.624263D+00 -0.105911D+01 -0.162982D+02 -0.642965D+00
                21            22            23            24            25 
      1  -0.191916D+01 -0.507415D+01  0.171457D+01  0.760533D+00 -0.110776D+01
      2   0.757046D+01 -0.317649D+01  0.170486D+01 -0.191522D+01 -0.674270D+01
      3   0.289519D+01  0.160119D+02 -0.761362D+00  0.261651D+01 -0.124198D+02
                26            27            28            29            30 
      1   0.315545D+01  0.206361D+01  0.406923D-02  0.210502D+01 -0.276394D+01
      2  -0.826102D+00  0.136449D+01  0.404330D+01  0.787922D+00 -0.386924D+01
      3   0.402561D+01  0.188747D+01  0.368823D+02 -0.530697D+00 -0.252641D+01
                31            32            33            34            35 
      1  -0.431267D+00  0.401342D+01 -0.957408D+01 -0.549140D+01 -0.128022D+01
      2   0.392019D+01 -0.191126D+00  0.220336D+01 -0.264702D+02  0.490383D+01
      3   0.746617D+01  0.549153D+01  0.112250D+01 -0.747878D+01 -0.123915D+01
                36            37            38            39            40 
      1  -0.278017D+01  0.268965D+00  0.122184D+01 -0.169247D+01  0.560022D+01
      2   0.165009D+01 -0.557903D+01 -0.120570D+01  0.386770D+01 -0.418786D+01
      3   0.196209D+01 -0.132618D+02 -0.726580D+00  0.283682D+01  0.696060D+01
                41            42            43            44            45 
      1  -0.206278D+01 -0.321815D+01  0.411892D+01  0.150257D+01 -0.188358D+01
      2  -0.218388D+01  0.117619D+01 -0.284832D+00 -0.727996D-01 -0.245453D+01
      3   0.145776D+01 -0.254404D+01  0.206161D+02 -0.179570D+01 -0.441177D+01
                46            47            48            49            50 
      1   0.144804D+01 -0.205907D+01  0.121439D+01 -0.800053D+01 -0.234402D+01
      2   0.449730D+01 -0.255472D+01  0.891576D+01 -0.253165D+01  0.220643D+01
      3   0.204363D+02 -0.237921D+01  0.275356D+01  0.730333D+01 -0.168333D+01
                51            52            53            54            55 
      1  -0.236965D+01 -0.132417D+01  0.215145D+01 -0.710292D-01  0.155634D+01
      2  -0.345230D+01 -0.389050D+01 -0.116960D+01  0.273633D+01 -0.639947D+01
      3   0.282771D+01  0.158690D+02  0.499753D+00  0.251474D+01  0.262470D+02
                56            57            58            59            60 
      1   0.148933D+01 -0.313218D+00  0.357627D+01 -0.328842D+01  0.315131D+01
      2  -0.277270D+00 -0.358937D+01 -0.326987D+01 -0.114867D+02  0.915759D+01
      3   0.124093D+02 -0.399271D+00  0.396309D+02  0.871930D+01  0.787709D+01
                61            62            63            64            65 
      1  -0.337102D+00  0.801137D+01  0.423668D+01 -0.164992D+01  0.429399D-01
      2  -0.201275D+02  0.104005D+02  0.154884D+02  0.110755D+02 -0.433805D+00
      3   0.298046D+01  0.101377D+02 -0.597001D+01 -0.283736D+02 -0.152868D+02
                66            67            68            69            70 
      1  -0.846095D+00 -0.287371D+01 -0.210817D+01 -0.234224D+01  0.272092D+01
      2   0.659022D+01  0.412595D+01  0.145865D+02 -0.124443D+02 -0.855763D+00
      3   0.182517D+01 -0.277105D+02 -0.929117D+01 -0.125551D+02 -0.559453D+01
                71            72            73            74            75 
      1   0.517736D+01  0.182621D+01 -0.203135D+01 -0.649050D+01  0.892008D+00
      2  -0.103837D+02 -0.163009D+02 -0.181461D+02  0.555007D+01  0.277560D+01
      3  -0.135522D+02  0.805844D+01  0.182433D+02  0.919533D+01 -0.276296D+01
                76            77            78            79            80 
      1  -0.936715D+01  0.117863D+01 -0.143484D+02  0.720450D+00 -0.752223D+01
      2   0.694079D+01 -0.101774D+02  0.122202D+02  0.288119D+01  0.101905D+02
      3   0.177083D+02  0.251327D+01  0.164651D+02 -0.284995D+01  0.126570D+02
                81            82            83            84            85 
      1   0.389873D+01  0.588590D+01  0.413236D+01  0.169049D+01  0.600507D+01
      2   0.972534D+01  0.956056D+00 -0.404846D+01 -0.267550D+01 -0.729467D+01
      3  -0.100225D+02  0.253631D+02  0.356834D+01 -0.193977D+01  0.773678D+01
                86            87            88            89            90 
      1   0.920664D+01 -0.507780D+01  0.328027D+01  0.227517D+01 -0.164570D+02
      2  -0.131038D+02  0.114280D+02 -0.589053D+01  0.731748D+01  0.207831D+02
      3   0.326121D+01  0.909110D+01  0.111189D+01  0.103565D+02 -0.770810D+01
                91            92            93            94            95 
      1   0.142606D+01 -0.158336D+01  0.159029D+01  0.284749D+00 -0.168790D+01
      2  -0.107054D+02  0.729478D+00 -0.116088D+01  0.282245D+00 -0.413715D+01
      3  -0.727793D+01 -0.268223D+00 -0.738621D+00  0.338262D+02 -0.169910D+02
                96            97            98            99           100 
      1  -0.243319D+01  0.630108D+00  0.537333D+01 -0.623709D-01  0.133945D+01
      2  -0.956973D+01 -0.158962D+02 -0.853470D+01  0.115249D+02  0.472393D+01
      3  -0.141180D+01  0.137824D+01 -0.756841D+00  0.597143D+01  0.139859D+02
               101           102           103           104           105 
      1   0.186174D+01 -0.384980D+01  0.102053D+01 -0.231708D+01  0.325146D+01
      2  -0.377116D+01  0.786430D+01 -0.128318D+01  0.444235D+01  0.190474D+02
      3  -0.159319D+02  0.206363D+01 -0.850279D+01  0.134495D+01 -0.308121D+01
               106           107           108           109           110 
      1  -0.257694D+01 -0.421182D+01  0.536366D+01 -0.377764D+01 -0.221520D+01
      2  -0.643037D+00  0.123669D+02  0.844190D+01 -0.838541D+01  0.199358D+01
      3   0.125366D+02 -0.160050D+02 -0.973573D+01 -0.364403D+00 -0.382372D+00
               111           112           113           114           115 
      1   0.221231D+01 -0.212588D+01  0.498471D+01 -0.765214D+01  0.195330D+00
      2   0.430236D+01 -0.215793D+01 -0.996465D+01 -0.148733D+02  0.107208D+01
      3   0.243510D-02 -0.350949D+01  0.190455D+02  0.117202D+02 -0.121819D+02
               116           117           118           119           120 
      1   0.832308D+01 -0.107459D+02  0.327712D+01  0.965413D-01  0.989421D-01
      2  -0.117871D+02 -0.306552D+02  0.484956D+01  0.602132D+00  0.206572D+01
      3   0.192678D+02  0.121870D+02 -0.314812D+01  0.490423D+01 -0.316655D+01
               121           122           123           124           125 
      1   0.892818D-01  0.306256D+01 -0.764020D+00 -0.111654D+01  0.722687D+01
      2   0.214016D+01  0.203155D+01 -0.681698D+00 -0.124871D+01 -0.428423D+01
      3   0.902247D+01 -0.205784D+02 -0.140184D+01  0.103880D+01 -0.425104D+01
               126           127           128           129           130 
      1   0.741819D+01  0.320110D+01  0.151724D+01  0.299119D+01 -0.192232D+01
      2   0.152880D+02 -0.492092D+01 -0.219154D+00  0.631430D-02  0.144794D+01
      3   0.553554D+01 -0.569561D+01 -0.126199D+01 -0.247894D+01  0.405653D+01
               131           132           133           134           135 
      1   0.223926D+00 -0.372620D+01  0.309782D+01  0.146292D+01  0.515284D+01
      2   0.151038D+00 -0.123626D+01 -0.295308D+01 -0.527585D+00  0.215622D+01
      3   0.746672D+00  0.830594D+00 -0.349004D+01 -0.165416D+01 -0.187163D+01
               136           137           138           139           140 
      1   0.209571D+01 -0.101943D+01 -0.253706D+01  0.105728D+01  0.153271D+00
      2   0.449980D+01  0.343380D+00 -0.807924D+00  0.587944D+00 -0.217979D-01
      3   0.309660D+01  0.126524D-01 -0.208495D+01  0.186570D+01 -0.268609D+00
               141           142           143           144           145 
      1  -0.365574D+01 -0.196359D+01  0.236706D+01  0.633834D+01 -0.237697D+01
      2   0.621632D+00 -0.482613D+01 -0.488675D+00 -0.636119D+00 -0.883578D+01
      3  -0.731462D+00 -0.285453D+01  0.921692D+00  0.228374D+01  0.458275D+00
               146           147           148           149           150 
      1   0.325963D+01 -0.887837D+00  0.138846D+01 -0.164049D+01 -0.603141D+00
      2   0.144935D+01 -0.133797D+01  0.214693D+01 -0.776022D+00  0.313882D+00
      3  -0.145097D+01  0.796581D+00  0.766004D+00  0.120736D+01 -0.178668D+00
               151           152           153           154           155 
      1  -0.201677D+01  0.428626D+01 -0.309208D+01 -0.262266D+01 -0.237448D+01
      2  -0.511720D+01  0.541044D+00  0.418194D+00  0.503652D+01  0.127313D+01
      3   0.804040D+00 -0.250766D+01  0.161995D+01 -0.761939D+00 -0.104091D+01
               156           157           158           159           160 
      1   0.133185D+01 -0.481546D+00 -0.126303D+01 -0.261260D+00  0.353222D+01
      2  -0.862163D+00  0.457922D+00  0.132391D+00  0.365960D+00 -0.547938D+01
      3   0.103758D+01  0.110667D+01 -0.291757D+00  0.283300D+00  0.151775D+01
               161           162           163           164           165 
      1   0.565822D+01 -0.557107D+01 -0.120526D+01 -0.553756D+00  0.145684D+01
      2  -0.676718D+00 -0.220889D+01 -0.601460D+01  0.871607D+00  0.576377D+01
      3   0.238056D+01 -0.185855D+01 -0.120001D+01 -0.420267D+01  0.606594D+00
               166           167           168           169           170 
      1  -0.180779D+00 -0.996454D-01 -0.240155D+01  0.266874D+01  0.111498D+01
      2   0.179203D+01 -0.310356D+01 -0.499143D+01  0.497021D+01 -0.909715D+01
      3  -0.496134D+01  0.238878D+01  0.286018D+01  0.395776D+01  0.629014D+01
               171           172           173           174           175 
      1  -0.705016D+01  0.167796D+01 -0.129303D+01  0.189203D+01 -0.229948D+01
      2  -0.217895D+02  0.666514D+01 -0.250062D+01  0.510378D+01 -0.305404D+01
      3   0.431147D+01  0.224195D+01 -0.734616D+01  0.219295D+00 -0.495226D+01
               176           177           178           179           180 
      1   0.381679D+01 -0.491147D+01  0.177905D+01 -0.198792D+01  0.304118D+01
      2   0.732316D+01 -0.593881D+01  0.419396D+01 -0.668948D+01  0.440372D+01
      3   0.147738D+02 -0.393722D+01 -0.335861D+01 -0.933215D+01  0.376383D+01
               181           182           183           184           185 
      1   0.274431D+00 -0.542079D+00 -0.282070D+00  0.125097D+00  0.439686D+00
      2  -0.334082D+01  0.532044D+00  0.980038D+01 -0.458991D+00 -0.302663D+01
      3   0.544233D+01 -0.925493D+01 -0.795565D+00 -0.123844D+01  0.481917D+01
               186           187           188           189           190 
      1  -0.109428D+01 -0.439144D+00  0.108933D+01 -0.151239D+00 -0.187496D+01
      2   0.347217D-01  0.568995D+01  0.754062D+00 -0.490283D+00  0.202659D+02
      3   0.318082D+01  0.677508D+00  0.405393D+01 -0.101352D+01 -0.101170D+02
               191           192           193           194           195 
      1  -0.292180D+01  0.145686D+01 -0.118534D+01  0.341399D+00 -0.132580D+00
      2  -0.344887D+01 -0.822089D+01 -0.282128D+01  0.475224D+01  0.215184D+01
      3   0.387590D+01  0.412404D+01  0.413207D+01 -0.315575D+01 -0.336208D+01
               196           197           198           199           200 
      1   0.101501D+01  0.218732D+01 -0.362145D+00  0.333229D+01  0.533488D+01
      2  -0.787346D+01  0.891771D+00  0.502258D+01  0.232435D+01  0.352274D+00
      3   0.211614D+01 -0.212188D+01 -0.136530D+01 -0.887903D+01 -0.118066D+02
               201           202           203           204           205 
      1  -0.670232D+00  0.563229D+01  0.766104D+01 -0.241831D-01  0.106333D+01
      2   0.644469D+01 -0.223295D+00  0.482500D+01  0.738822D+01  0.212490D+01
      3  -0.355297D+01 -0.100428D+02 -0.194453D+02 -0.924811D+01 -0.156331D+01
               206           207           208           209           210 
      1   0.307292D+01  0.585211D+00 -0.233819D+01  0.332612D+01 -0.202993D+01
      2   0.262503D+01  0.337548D+01  0.536012D+01 -0.145460D+01  0.511833D+01
      3  -0.523562D+01 -0.357867D+01  0.224276D+01 -0.600249D+01  0.313107D+01
               211           212           213           214           215 
      1   0.269673D+01 -0.976214D+01  0.540020D+01 -0.221150D+01  0.824752D+01
      2  -0.106586D+01  0.872822D+01 -0.141569D+02  0.960613D+00 -0.754002D+01
      3  -0.299638D+01  0.140006D+02 -0.984756D+01  0.241090D+01 -0.899283D+01
               216           217           218           219           220 
      1  -0.610503D+01  0.140990D+01 -0.668905D+00 -0.165875D+01 -0.260277D+00
      2   0.140833D+02 -0.454228D+01 -0.250887D+00  0.350980D+01 -0.541801D+00
      3   0.834720D+01 -0.235908D+01 -0.248087D+01 -0.865871D+00 -0.269146D+00
               221           222           223           224           225 
      1   0.189664D+01  0.216720D+01 -0.148285D+01  0.529106D+01  0.160856D+02
      2  -0.182336D+01 -0.542270D+01 -0.785770D+00  0.432741D+00 -0.309918D+02
      3   0.135090D+01  0.175028D+01 -0.127125D+01  0.518051D+01 -0.120363D+01
               226           227           228           229           230 
      1  -0.409114D+01 -0.463504D+01 -0.333253D+01 -0.554459D+01 -0.860315D+01
      2   0.331214D+01  0.244390D+01  0.569081D+01  0.355149D+01  0.366528D+01
      3  -0.730360D+01 -0.116516D+02  0.127407D+01 -0.632533D+01 -0.220154D+02
               231           232           233           234           235 
      1  -0.416496D+01 -0.215107D+01 -0.147873D+01 -0.780691D+00 -0.547696D+00
      2   0.409509D+01  0.322980D+01  0.257846D+01  0.133334D+00 -0.843530D+01
      3   0.542263D+00 -0.842033D+00 -0.530036D+01 -0.116008D+01 -0.214408D+02
               236           237           238           239           240 
      1   0.216520D+01  0.288161D+01  0.104148D+01 -0.148069D+01 -0.110237D+01
      2   0.214738D+01 -0.159807D+01  0.195734D+01 -0.109663D+01 -0.142849D+00
      3   0.768343D+01 -0.359121D+00  0.694483D+01 -0.646688D+01 -0.426399D+00
               241           242           243           244           245 
      1   0.158280D+01  0.711481D+00  0.182398D+00 -0.122345D+00 -0.478029D+00
      2  -0.289943D+01 -0.199589D+00 -0.190811D+01 -0.496970D+01 -0.389197D+00
      3   0.143283D+01 -0.258431D+01 -0.135162D+01 -0.306243D+01 -0.212992D+01
               246           247           248           249           250 
      1  -0.616414D+00 -0.108276D+00  0.262094D+00 -0.176375D+01 -0.618339D+00
      2   0.388746D+01  0.281774D+00 -0.275597D+01  0.517512D+01  0.474260D+00
      3   0.968657D-01 -0.472902D+00 -0.213102D+01  0.286763D+01 -0.127429D+01
               251           252           253           254           255 
      1   0.252462D+01  0.236039D+01 -0.159950D+01  0.786003D+00 -0.211796D+01
      2   0.412721D+01 -0.160888D+02  0.185200D+02  0.420317D+01  0.794970D+01
      3   0.468159D+01 -0.292870D+01 -0.155718D+02 -0.117653D+02 -0.362254D+00
               256           257           258           259           260 
      1  -0.118107D+01 -0.598526D+01 -0.558257D+01 -0.112294D+01 -0.105899D+01
      2   0.341913D+01 -0.476409D+00  0.773029D+01  0.524244D+01  0.871624D+01
      3  -0.263107D+01  0.244433D+02  0.131618D+01  0.247387D+01 -0.204659D+01
               261           262           263           264           265 
      1   0.798149D+01  0.357282D+00  0.370759D+00  0.107383D+01  0.489592D+00
      2  -0.158901D+02  0.155084D+01 -0.106867D+01  0.163965D+01 -0.168838D+01
      3  -0.621082D+01  0.307460D+01 -0.397064D+01  0.142178D+01 -0.676182D+01
               266           267           268           269           270 
      1  -0.302731D+01 -0.422769D+01 -0.609105D+00  0.978855D+00 -0.544416D+00
      2   0.544693D+01 -0.644930D+01  0.395729D+00 -0.139021D+01  0.207668D+01
      3   0.292788D+02 -0.621261D+01 -0.485862D+00  0.159002D+01  0.186342D+01
               271           272           273           274           275 
      1  -0.171602D+01 -0.832728D+00  0.409318D+00 -0.141460D+00 -0.249647D+01
      2   0.453137D+01  0.233969D+00 -0.217973D+01  0.156105D+01  0.291766D+01
      3   0.204281D+01  0.941832D+00  0.833031D+00  0.582978D+00  0.101949D+01
               276           277           278           279           280 
      1   0.186362D+01 -0.205977D+00  0.464394D+01 -0.102257D+02  0.766367D+00
      2  -0.542519D+01 -0.263096D+01 -0.212556D+01  0.240716D+02 -0.918338D+01
      3  -0.239194D+01  0.130443D+01 -0.464134D+01  0.265097D+01  0.149264D+02
               281           282           283           284           285 
      1   0.804872D+00 -0.198137D+01  0.769436D+00  0.471040D+00  0.510316D-01
      2  -0.156982D+00  0.824211D+01 -0.661923D+00 -0.955155D+00 -0.129930D+01
      3  -0.685219D+01 -0.764965D+00 -0.406138D+01 -0.590535D+00  0.337144D+00
               286           287           288           289           290 
      1  -0.162513D+01  0.924094D+00 -0.983086D-01  0.940098D+00 -0.579390D+00
      2   0.380902D+01 -0.709878D+00 -0.434715D+00 -0.911073D+00 -0.165449D+01
      3  -0.141327D+01  0.171451D+01  0.188086D+01 -0.408476D+01  0.653792D+01
               291           292           293           294           295 
      1   0.143847D+01 -0.245372D+00  0.617968D+01 -0.397682D+01  0.636717D+00
      2  -0.148144D+01 -0.910016D+00  0.397863D+01  0.419168D+01 -0.156508D+01
      3   0.351865D+00  0.380096D+01 -0.321818D+02 -0.256986D+01 -0.991811D+00
               296           297 
      1  -0.218150D+00 -0.134036D+00
      2   0.235904D+01  0.138970D+01
      3   0.124320D+01 -0.240357D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.713501D+01  0.989234D+01 -0.208203D+02 -0.114344D+01 -0.136844D+02
      2   0.242411D+01 -0.848388D+01  0.691463D+01 -0.705939D+01  0.222563D+02
      3   0.471089D+01 -0.140846D+01  0.139057D+02  0.820283D+01 -0.857189D+01
      4   0.104819D+02 -0.840032D+00  0.653409D+01  0.875777D+01 -0.597450D+01
      5  -0.112681D+02  0.576452D+01 -0.125855D+01  0.101929D+02  0.284880D+01
      6   0.442280D+01  0.443634D+01 -0.403769D+01 -0.789264D+00 -0.643336D+01
                 6             7             8             9            10 
      1   0.649728D+01  0.367328D+02 -0.211803D+01  0.897538D+01  0.561735D+02
      2  -0.123207D+02 -0.112100D+02 -0.121156D+01 -0.511725D+01 -0.266236D+02
      3   0.582341D+01 -0.255228D+02  0.332959D+01 -0.385813D+01 -0.295499D+02
      4   0.193009D+01 -0.284031D+01  0.830211D+00  0.696723D+01 -0.103540D+02
      5   0.721262D+01  0.433550D+01  0.703058D+01 -0.546077D+01 -0.859377D+01
      6   0.418156D+01  0.110922D+02 -0.295878D+01  0.644419D+01  0.236854D+01
                11            12            13            14            15 
      1   0.883928D+01 -0.199966D+01  0.135424D+02 -0.180245D+01  0.417664D+01
      2  -0.839813D+01  0.391589D+01 -0.142485D+02  0.724383D+01 -0.717857D+00
      3  -0.441152D+00 -0.191623D+01  0.706076D+00 -0.544137D+01 -0.345878D+01
      4   0.639730D+00 -0.379337D+01  0.170246D+02 -0.757705D+01 -0.106848D+01
      5  -0.456397D+01  0.918238D+01  0.109672D+02  0.939792D-01 -0.382792D+01
      6   0.915354D+00 -0.748091D+01 -0.418704D+01  0.363554D+01  0.872040D+01
                16            17            18            19            20 
      1  -0.973280D+01  0.438713D+01 -0.171923D+02  0.754152D+01 -0.120329D+02
      2   0.140220D-01  0.470531D+01  0.135078D+01  0.327475D+00  0.120030D+02
      3   0.971878D+01 -0.909244D+01  0.158415D+02 -0.786899D+01  0.299549D-01
      4   0.128098D+02 -0.590268D+00 -0.322776D+01 -0.854090D+01  0.299147D+00
      5  -0.125963D+02 -0.407670D+01 -0.366551D+01  0.118838D+02  0.179315D+01
      6  -0.632629D+01  0.173386D+01 -0.330868D+01 -0.162431D+01 -0.568697D+01
                21            22            23            24            25 
      1   0.189622D+02  0.435757D+01 -0.119258D+02 -0.450125D+01 -0.180499D+02
      2  -0.115532D+02  0.402055D+01  0.180141D+02 -0.109707D+02  0.105884D+01
      3  -0.740902D+01 -0.837812D+01 -0.608836D+01  0.154719D+02  0.169911D+02
      4   0.241151D+01  0.144637D+02  0.608875D+01 -0.204186D+01 -0.183924D+01
      5  -0.105211D+02 -0.912918D-01 -0.124340D+01 -0.164719D+01  0.800205D+01
      6   0.546109D+01 -0.464211D+00 -0.750710D+01  0.591519D+01 -0.105898D+02
                26            27            28            29            30 
      1  -0.337180D+01  0.768019D+01  0.205454D+02 -0.452286D+01  0.260433D+01
      2  -0.323684D+01 -0.820464D+00 -0.493970D+01  0.791448D+01  0.500733D+00
      3   0.660863D+01 -0.685973D+01 -0.156057D+02 -0.339162D+01 -0.310507D+01
      4  -0.192942D+01 -0.647117D+01  0.188438D+02  0.905828D+00 -0.218742D+01
      5  -0.623265D+01  0.803129D+01  0.321212D+01 -0.173419D+01  0.651189D+01
      6   0.971365D+00  0.824232D+01  0.353847D+01 -0.107372D+01  0.589562D+01
                31            32            33            34            35 
      1  -0.390638D+01 -0.138599D+01  0.670581D+01 -0.669735D+01  0.796157D+01
      2   0.836241D+01  0.524716D+01 -0.186719D+01  0.168833D+01  0.288726D+01
      3  -0.445603D+01 -0.386117D+01 -0.483863D+01  0.500902D+01 -0.108488D+02
      4   0.142764D+02  0.114295D+01  0.134759D+01  0.933649D+01  0.531699D+01
      5   0.115597D+02  0.196494D+00  0.157517D+01 -0.152432D+02  0.388762D+01
      6  -0.141442D+01  0.331691D+01  0.609783D+01 -0.422298D+00  0.932083D+00
                36            37            38            39            40 
      1  -0.154206D+02 -0.238889D+01  0.328152D+01 -0.220070D+02 -0.940967D+01
      2   0.226260D+01 -0.166769D+01 -0.158662D+01  0.604633D+01 -0.198948D+01
      3   0.131580D+02  0.405657D+01 -0.169490D+01  0.159606D+02  0.113992D+02
      4   0.279353D+01  0.352885D+01 -0.884667D+00  0.338586D+01  0.453558D+01
      5   0.694954D+00 -0.153169D+02  0.288585D+01 -0.211885D+01  0.121765D+01
      6  -0.696361D+01  0.298120D+01  0.534860D+01  0.637889D+01  0.276195D+01
                41            42            43            44            45 
      1  -0.530462D+01 -0.590950D+01  0.212550D+02 -0.805304D+01  0.552253D+01
      2   0.565045D+01  0.366003D+00  0.281348D-01  0.175429D+01 -0.764875D+00
      3  -0.345828D+00  0.554349D+01 -0.212831D+02  0.629875D+01 -0.475766D+01
      4  -0.813586D+00  0.340879D+01  0.323136D+01  0.360864D+01  0.555394D+01
      5   0.145282D+01  0.747466D+01  0.995712D+01  0.499392D+01 -0.636639D+01
      6   0.322804D+01  0.850566D+01  0.101797D+02  0.241854D+01  0.101730D+02
                46            47            48            49            50 
      1   0.530327D+00 -0.664568D+01  0.177923D+02  0.141468D+02 -0.214319D+01
      2   0.654417D+01  0.286776D+01 -0.698732D+01 -0.382891D+01  0.257693D+01
      3  -0.707450D+01  0.377792D+01 -0.108050D+02 -0.103179D+02 -0.433744D+00
      4  -0.150697D+01  0.368138D+01 -0.200246D+01  0.971461D+01  0.533106D+01
      5   0.178037D+02 -0.290683D+00 -0.781294D+01 -0.848413D+01 -0.405881D+01
      6   0.240419D+00 -0.371100D+01  0.909622D-02 -0.216646D+01  0.445871D+01
                51            52            53            54            55 
      1  -0.171950D+02 -0.228288D+02 -0.893038D+01  0.434527D+01 -0.316487D+02
      2   0.292174D+01  0.346173D+01  0.235553D+01  0.498694D+01  0.141192D+02
      3   0.142733D+02  0.193671D+02  0.657485D+01 -0.933221D+01  0.175295D+02
      4  -0.452821D+01  0.396031D+01 -0.217502D+01 -0.438126D+01 -0.486181D+01
      5  -0.264422D+01  0.817390D+01 -0.359813D+01  0.708926D+01 -0.397321D+01
      6   0.133886D+02 -0.528896D+01  0.589907D+01  0.126419D+02  0.416477D+00
                56            57            58            59            60 
      1  -0.886613D+01 -0.441852D+01 -0.337193D+02 -0.229106D+02  0.217556D+01
      2   0.641192D+01 -0.125769D+00  0.238028D+02  0.553427D+01  0.588273D+01
      3   0.245421D+01  0.454429D+01  0.991655D+01  0.173764D+02 -0.805828D+01
      4  -0.270112D+02  0.108561D+01 -0.455283D+02  0.145552D+02 -0.151877D+02
      5   0.756074D+00 -0.137466D+02  0.997810D-01 -0.149276D+02  0.167368D+02
      6  -0.505527D-01  0.183880D+01 -0.950475D+00  0.433915D+01 -0.593711D+01
                61            62            63            64            65 
      1  -0.138372D+02  0.154022D+01 -0.291756D+01 -0.903462D+02  0.291690D+02
      2  -0.286801D+01  0.705292D+01  0.676977D+01  0.491925D+02 -0.133158D+02
      3   0.167052D+02 -0.859314D+01 -0.385221D+01  0.411537D+02 -0.158533D+02
      4   0.131561D+00 -0.193005D+02  0.282018D+02  0.273659D+02  0.239204D+02
      5  -0.251512D+02  0.248746D+02  0.359523D+02  0.228507D+02 -0.249017D+01
      6   0.122709D+02 -0.608873D+01 -0.108626D+02  0.122706D+01 -0.269466D+01
                66            67            68            69            70 
      1   0.227164D+02  0.631134D+02  0.220040D+02 -0.755031D+01  0.333122D+02
      2  -0.128368D+02 -0.287604D+02 -0.962595D+01  0.790482D+01 -0.132019D+02
      3  -0.987967D+01 -0.343530D+02 -0.123780D+02 -0.354512D+00 -0.201103D+02
      4  -0.142638D+01  0.301910D+02  0.101356D+02  0.225649D+02  0.246888D+01
      5   0.828939D+01 -0.179750D+01  0.238835D+02 -0.226205D+02  0.153678D+00
      6   0.167954D+01  0.240614D+01  0.648059D+01 -0.415883D+01 -0.317954D+01
                71            72            73            74            75 
      1  -0.391066D+01  0.245721D+01  0.377338D+02 -0.233649D+02 -0.188395D+02
      2   0.797702D+01 -0.159634D+01 -0.204651D+02  0.503997D+01  0.104050D+02
      3  -0.406636D+01 -0.860871D+00 -0.172686D+02  0.183250D+02  0.843450D+01
      4   0.207892D+02 -0.176116D+02 -0.215968D+02 -0.320970D+02 -0.556706D+01
      5  -0.179047D+02 -0.306821D+02 -0.104003D+02 -0.771003D+01 -0.177515D+02
      6  -0.516064D+01 -0.496504D+01 -0.149528D+02 -0.893752D+01 -0.465555D+00
                76            77            78            79            80 
      1  -0.308490D+02 -0.275540D+02 -0.114726D+01 -0.219388D+02  0.128690D+01
      2   0.648344D+01  0.176869D+02 -0.127907D+02  0.112535D+02 -0.124557D+02
      3   0.243656D+02  0.986702D+01  0.139380D+02  0.106853D+02  0.111688D+02
      4  -0.418709D+02 -0.144058D+02 -0.371684D+02 -0.205808D+01 -0.268606D+02
      5  -0.859022D+01 -0.439119D+02  0.233762D+02 -0.112613D+02  0.202681D+02
      6  -0.151422D+02 -0.674565D+01 -0.976979D+01  0.178945D+01 -0.835907D+01
                81            82            83            84            85 
      1  -0.106714D+02  0.379198D+02 -0.218806D+02 -0.115296D+02 -0.299418D+02
      2   0.132033D+01 -0.363848D+02  0.358583D+00  0.548367D+01  0.759346D+00
      3   0.935109D+01 -0.153502D+01  0.215220D+02  0.604595D+01  0.291824D+02
      4   0.177833D+02 -0.174167D+02 -0.378092D+02 -0.836476D+00 -0.394922D+02
      5   0.819139D+01 -0.147719D+02  0.528920D+01 -0.501796D+01  0.309706D+01
      6   0.130047D+02  0.107102D+01  0.404908D+01 -0.272567D+01  0.288245D+01
                86            87            88            89            90 
      1  -0.255781D+02  0.770436D+01 -0.126484D+02  0.219561D+01  0.179082D+00
      2  -0.119668D+01 -0.515293D+01  0.343564D+00 -0.607861D+01  0.235711D+02
      3   0.267748D+02 -0.255143D+01  0.123048D+02  0.388300D+01 -0.237502D+02
      4  -0.342587D+02 -0.137432D+02 -0.100171D+02 -0.205343D+02  0.107663D+02
      5  -0.114850D+02  0.219968D+02 -0.407926D+01  0.140485D+02  0.498870D+02
      6  -0.580517D+01  0.109778D+02 -0.133838D+01  0.101420D+02  0.102182D+02
                91            92            93            94            95 
      1   0.138591D+01 -0.112902D+01 -0.550200D+01 -0.704913D+01 -0.152610D+02
      2  -0.408294D+01 -0.255092D+01  0.768447D+00  0.867810D+01  0.751160D+01
      3   0.269702D+01  0.367994D+01  0.473355D+01 -0.162898D+01  0.774940D+01
      4  -0.146808D+02 -0.140341D+02 -0.395436D+01 -0.343517D+02  0.173608D+02
      5  -0.158318D+02 -0.262553D+01 -0.979748D+01 -0.101619D+02 -0.590443D+01
      6  -0.104235D+01 -0.594961D+01 -0.683630D+01 -0.165050D+01  0.300218D+01
                96            97            98            99           100 
      1  -0.701155D+01 -0.182659D+02 -0.705417D+01 -0.391711D+01  0.877707D+01
      2   0.356152D+01  0.352789D+01 -0.996651D+00  0.626335D+01 -0.337741D+01
      3   0.345003D+01  0.147380D+02  0.805082D+01 -0.234625D+01 -0.539966D+01
      4  -0.555078D+01 -0.169764D+02 -0.641327D+01 -0.200514D+02  0.900903D+01
      5  -0.191593D+02 -0.183478D+02 -0.192198D+02  0.222835D+02  0.101513D+02
      6  -0.224559D+01 -0.907026D+01 -0.461419D+01  0.840491D+01 -0.503538D+01
               101           102           103           104           105 
      1   0.193496D+01  0.278786D+01  0.143123D+02  0.542726D+01  0.168268D+01
      2  -0.109146D+00 -0.219263D+01 -0.143493D+02  0.433244D+00  0.449895D+01
      3  -0.182582D+01 -0.595227D+00  0.370218D-01 -0.586051D+01 -0.618163D+01
      4   0.205175D+01 -0.357253D+01 -0.771525D+00 -0.114018D+02  0.815100D+01
      5  -0.513600D+01 -0.330601D+01 -0.118458D+02  0.103504D+02  0.364300D+02
      6   0.409074D+01  0.749556D+01  0.537267D+01 -0.113414D+02 -0.207898D+02
               106           107           108           109           110 
      1   0.142013D+02 -0.525917D+00 -0.613897D-01  0.176003D+02 -0.140317D+02
      2   0.156093D+01 -0.133398D+02  0.408975D+01 -0.105799D+02  0.649392D+01
      3  -0.157622D+02  0.138657D+02 -0.402836D+01 -0.702049D+01  0.753774D+01
      4  -0.156696D+02  0.341467D+02  0.240410D+02 -0.193246D+02  0.172515D+02
      5  -0.221925D+02  0.252011D+02  0.167067D+02 -0.283898D+02  0.888495D+01
      6   0.141392D+02 -0.233162D+02 -0.118464D+02  0.116540D+02 -0.283922D+01
               111           112           113           114           115 
      1  -0.213782D+02 -0.124444D+02 -0.860774D+01 -0.720925D+01 -0.258321D+02
      2   0.139121D+02  0.327230D+01  0.183616D+02  0.369159D+01  0.144340D+02
      3   0.746610D+01  0.917211D+01 -0.975386D+01  0.351766D+01  0.113981D+02
      4   0.118855D+02  0.271333D+02 -0.335876D+02 -0.229730D+02  0.260062D+02
      5   0.212874D+02  0.182472D+02 -0.253613D+02 -0.300761D+02  0.367910D+02
      6  -0.508733D+01 -0.803852D+01  0.248469D+02  0.274947D+02 -0.149347D+02
               116           117           118           119           120 
      1  -0.525807D+01 -0.646706D+01  0.908726D+01 -0.539082D+01  0.130561D+02
      2   0.978915D+01 -0.150198D+02 -0.704723D+01  0.910412D+01 -0.876245D+01
      3  -0.453109D+01  0.214869D+02 -0.204003D+01 -0.371330D+01 -0.429364D+01
      4  -0.362079D+02 -0.257299D+02 -0.847384D+00 -0.659498D+01 -0.339004D+01
      5  -0.289279D+02 -0.658100D+02  0.119185D+02  0.127546D+01  0.738588D+01
      6   0.290843D+02  0.366679D+02 -0.453511D+01 -0.178453D+01 -0.152137D+01
               121           122           123           124           125 
      1   0.230215D-01 -0.324360D+01  0.356650D+01  0.175212D+02  0.199405D+01
      2   0.106290D+02 -0.192130D+02  0.201727D+00 -0.107730D+02 -0.657772D+00
      3  -0.106521D+02  0.224566D+02 -0.376823D+01 -0.674818D+01 -0.133627D+01
      4  -0.182751D+02  0.489753D+02  0.516998D-01 -0.756174D+01  0.659010D+01
      5   0.160303D+01 -0.136359D+00 -0.228626D+01  0.188715D+02 -0.115077D+02
      6  -0.386270D+01  0.352407D+01  0.732163D+01 -0.516575D+01  0.143963D+02
               126           127           128           129           130 
      1  -0.139931D+01  0.298391D+01  0.289912D+01 -0.161330D+01 -0.376442D+00
      2  -0.808726D+01 -0.247690D+01 -0.329845D+01 -0.159244D+01  0.840537D+00
      3   0.948657D+01 -0.507011D+00  0.399332D+00  0.320574D+01 -0.464095D+00
      4  -0.106840D+02 -0.997547D+01  0.808534D+01 -0.790323D+01  0.555218D+01
      5   0.311448D+02  0.155549D+02 -0.549359D+01  0.140928D+02 -0.788082D+01
      6  -0.182978D+02 -0.827225D+01  0.626609D+01 -0.869895D+01  0.558247D+01
               131           132           133           134           135 
      1  -0.401740D+01  0.489769D+01 -0.367607D+01  0.829682D+01 -0.145946D+02
      2   0.248605D+01 -0.187213D+00 -0.191443D+01 -0.465896D+01 -0.203132D+01
      3   0.153135D+01 -0.471048D+01  0.559050D+01 -0.363786D+01  0.166259D+02
      4  -0.599335D+01  0.586181D+01 -0.850881D+01  0.788953D+01 -0.104655D+02
      5   0.514955D+01 -0.834619D+01  0.154060D+02 -0.767654D+01  0.204921D+02
      6  -0.652875D+01  0.884569D+01 -0.103387D+02  0.123506D+02 -0.187540D+02
               136           137           138           139           140 
      1  -0.263386D+01 -0.199368D+01  0.577203D+01 -0.222887D+01 -0.462861D+01
      2  -0.267146D+01  0.651222D+00  0.270751D+01 -0.487688D+00  0.124309D+01
      3   0.530532D+01  0.134246D+01 -0.847954D+01  0.271655D+01  0.338552D+01
      4   0.543186D+01  0.373133D+01 -0.540586D+01  0.215572D+01  0.174248D+01
      5  -0.887746D+01 -0.336878D+01  0.114002D+02 -0.321849D+01 -0.232254D+01
      6  -0.588414D+01 -0.371991D+01  0.652788D+01 -0.280928D+01 -0.505369D+01
               141           142           143           144           145 
      1   0.800113D+01  0.717478D+01  0.107952D+02 -0.287925D+02  0.363769D+01
      2   0.350269D+00  0.192309D+01 -0.353098D+01 -0.528102D+01 -0.590464D+01
      3  -0.835140D+01 -0.909787D+01 -0.726422D+01  0.340735D+02  0.226695D+01
      4  -0.270917D+01 -0.595366D+01 -0.539714D+01  0.782948D+01 -0.103567D+01
      5   0.356066D+01  0.106764D+02  0.492114D+01 -0.162374D+02  0.118765D+02
      6   0.857593D+01  0.846998D+01  0.131677D+02 -0.235334D+02 -0.421806D+00
               146           147           148           149           150 
      1   0.268089D+00 -0.162069D+01  0.640899D+00 -0.153589D+01  0.500830D+01
      2   0.883590D+00 -0.470614D+01  0.203245D+01 -0.297573D+00  0.272795D+01
      3  -0.115168D+01  0.632683D+01 -0.267335D+01  0.183346D+01 -0.773625D+01
      4   0.361256D+01 -0.736935D+00  0.261245D+01 -0.313783D+01  0.936138D+00
      5  -0.266925D+01  0.101750D+02 -0.441514D+01  0.305305D+01 -0.621174D+01
      6   0.185083D+01 -0.586874D+00  0.625539D+00 -0.289947D+01  0.203375D+01
               151           152           153           154           155 
      1  -0.308765D+01  0.382768D+01 -0.136003D+02  0.322046D+00  0.813661D+00
      2  -0.614547D+01  0.128300D+01 -0.950991D+01 -0.558729D+01 -0.146093D+01
      3   0.923312D+01 -0.511068D+01  0.231102D+02  0.526524D+01  0.647269D+00
      4  -0.107488D+01  0.284226D+01 -0.149766D+01  0.131213D+01  0.285193D+01
      5   0.128299D+02 -0.377315D+01  0.160479D+02 -0.981747D+01 -0.219695D+01
      6  -0.125743D+01  0.491559D+01 -0.276566D+01  0.807387D+00 -0.176771D+01
               156           157           158           159           160 
      1   0.305517D+01 -0.209021D+01 -0.276058D+01  0.658932D+01  0.312366D+01
      2   0.578460D+01 -0.427038D+00 -0.489050D+00  0.288228D+01  0.752561D+01
      3  -0.883977D+01  0.251725D+01  0.324963D+01 -0.947159D+01 -0.106493D+02
      4  -0.418585D+00  0.135718D+01  0.969919D+00 -0.142603D+01 -0.197887D+01
      5   0.122445D+02 -0.212860D+01 -0.255947D+01  0.346174D+01  0.133679D+02
      6  -0.176121D+01 -0.103694D+01 -0.235780D+01  0.159764D+01  0.111616D-01
               161           162           163           164           165 
      1   0.292545D+01 -0.228442D+02  0.978890D+01 -0.278046D+01 -0.847638D+01
      2   0.224509D+01 -0.160908D+02 -0.769279D+01  0.817806D+00  0.617018D+01
      3  -0.517054D+01  0.389350D+02 -0.209611D+01  0.196266D+01  0.230619D+01
      4  -0.371054D+01  0.174442D+01 -0.655016D+01  0.105510D+02  0.677841D+01
      5   0.375994D+01 -0.210437D+02 -0.153361D+02  0.509393D+01  0.161593D+02
      6   0.552342D+01  0.529739D+00  0.447196D+01 -0.190309D+01 -0.315885D+01
               166           167           168           169           170 
      1   0.391865D+01  0.106491D+01 -0.265768D+01 -0.174314D+02 -0.417719D+01
      2  -0.314470D+01  0.104922D+01  0.123613D+01  0.142074D+02  0.106671D+01
      3  -0.773946D+00 -0.211414D+01  0.142154D+01  0.322394D+01  0.311048D+01
      4   0.121060D+02 -0.103680D+02 -0.883611D+01  0.136627D+02 -0.161790D+02
      5   0.488884D+01 -0.881069D+01 -0.985466D+01  0.284085D+02 -0.192216D+02
      6  -0.330548D+01  0.643332D+01  0.953075D+01 -0.973258D+01  0.124439D+02
               171           172           173           174           175 
      1  -0.319813D+01  0.201763D+02 -0.100086D+02  0.629492D+01 -0.117435D+02
      2  -0.111826D+02 -0.443118D+01 -0.167451D+00 -0.181343D+01 -0.318006D+01
      3   0.143807D+02 -0.157451D+02  0.101761D+02 -0.448149D+01  0.149236D+02
      4  -0.225034D+02 -0.219649D+02  0.251967D+02 -0.581017D+01  0.324642D+02
      5  -0.484905D+02  0.897951D+01 -0.387822D+01  0.814321D+01 -0.523684D+01
      6   0.189410D+02 -0.299507D+01  0.609604D+00 -0.193978D+01  0.236141D+01
               176           177           178           179           180 
      1   0.345995D+01 -0.448964D+00  0.191245D+02 -0.519126D+00  0.244924D+01
      2   0.172981D+02 -0.422930D+01 -0.511696D+01 -0.699903D+01 -0.683262D-01
      3  -0.207580D+02  0.467826D+01 -0.140076D+02  0.751816D+01 -0.238092D+01
      4  -0.449678D+02  0.118364D+02 -0.159245D+02  0.240666D+02 -0.140150D+02
      5   0.107530D+02 -0.961372D+01  0.109347D+02 -0.123209D+02  0.817958D+01
      6  -0.470972D+01  0.590603D+01 -0.459837D+01  0.643464D+01 -0.429885D+01
               181           182           183           184           185 
      1   0.142341D+03 -0.172621D+02 -0.159448D+02 -0.273568D+02  0.133170D+02
      2  -0.722938D+02  0.904423D+01  0.779287D+01  0.135097D+02 -0.482891D+01
      3  -0.700470D+02  0.821791D+01  0.815190D+01  0.138471D+02 -0.848804D+01
      4  -0.128900D+02  0.147834D+02  0.151152D+01  0.170476D+02 -0.877874D+01
      5  -0.184547D+02  0.216345D+01  0.176009D+02  0.231308D+01 -0.579723D+01
      6   0.656100D+00 -0.117584D+01  0.153773D+01 -0.129008D+01 -0.502006D-01
               186           187           188           189           190 
      1   0.281800D+01 -0.194019D+02  0.200600D+01  0.158022D+02 -0.453774D+02
      2  -0.198578D+01  0.110061D+02 -0.194783D+01 -0.981457D+01  0.226265D+02
      3  -0.832223D+00  0.839576D+01 -0.581735D-01 -0.598762D+01  0.227508D+02
      4  -0.540473D+01  0.431030D+00 -0.534552D+01 -0.372273D-01 -0.484045D+01
      5  -0.846649D+00  0.227321D+02 -0.338918D+00 -0.453019D+01 -0.108386D+02
      6   0.244239D+01 -0.101056D-01  0.269376D+01  0.758526D+00  0.566658D+01
               191           192           193           194           195 
      1   0.100164D+02  0.134702D+02  0.924189D+01 -0.683363D+01 -0.542645D+01
      2  -0.608571D+01 -0.168051D+01 -0.426383D+01  0.442912D+01  0.359369D+01
      3  -0.393066D+01 -0.117897D+02 -0.497806D+01  0.240450D+01  0.183276D+01
      4  -0.365954D+01 -0.143333D+01  0.282644D+01  0.351359D+01  0.542560D+01
      5  -0.152799D+01 -0.861107D+01  0.808382D+00  0.484778D+01  0.286507D+00
      6  -0.574550D+01 -0.693917D+01 -0.168904D+01  0.412089D+01  0.507450D+01
               196           197           198           199           200 
      1   0.102100D+02 -0.295109D+01 -0.845208D+01  0.323498D+02  0.196411D+02
      2  -0.265475D+01  0.166632D+01  0.120451D+00 -0.139022D+02 -0.456972D+01
      3  -0.755525D+01  0.128476D+01  0.833162D+01 -0.184476D+02 -0.150714D+02
      4   0.734207D+00  0.378582D+01 -0.131809D+01  0.325382D+02  0.317485D+02
      5   0.282155D+01 -0.126327D+01  0.391750D+01  0.260886D+02  0.162597D+02
      6  -0.311067D+01  0.417604D+01  0.208103D+01  0.119847D+02  0.115842D+02
               201           202           203           204           205 
      1   0.125673D+02  0.258304D+02  0.146264D+02  0.587701D+01  0.724744D+01
      2  -0.901748D+01 -0.698697D+01  0.329116D+01 -0.323410D+01 -0.606670D+01
      3  -0.354979D+01 -0.188434D+02 -0.179176D+02 -0.264291D+01 -0.118074D+01
      4   0.132005D+02  0.396005D+02  0.477867D+02  0.232127D+02  0.945799D+01
      5   0.217544D+02  0.245982D+02  0.270037D+02  0.220707D+02  0.174794D+02
      6   0.804628D+01  0.150013D+02  0.204921D+02  0.149973D+02  0.697407D+01
               206           207           208           209           210 
      1   0.173457D+01  0.597109D+01  0.107578D+02 -0.577220D+01  0.117292D+02
      2  -0.153900D+01 -0.550232D+01 -0.887360D+01  0.545791D+01 -0.107216D+02
      3  -0.195577D+00 -0.468770D+00 -0.188417D+01  0.314285D+00 -0.100760D+01
      4   0.121380D+02  0.110164D+02 -0.646208D+01  0.126376D+02 -0.556294D+01
      5   0.116034D+02  0.141896D+02  0.166530D+02 -0.767432D+01  0.183371D+02
      6   0.102795D+02  0.732359D+01 -0.121405D+01  0.426880D+01 -0.165108D+01
               211           212           213           214           215 
      1  -0.127609D+02  0.619910D+01 -0.395826D+01  0.113548D+02 -0.154692D+01
      2   0.114097D+02 -0.839216D+01  0.149294D+02 -0.118866D+02  0.989669D+01
      3   0.135121D+01  0.219306D+01 -0.109711D+02  0.531811D+00 -0.834977D+01
      4   0.130492D+02 -0.260478D+02  0.210610D+02 -0.534017D+01  0.166105D+02
      5  -0.166513D+02  0.238483D+02 -0.336599D+02  0.197726D+02 -0.184990D+02
      6   0.493150D+01 -0.118688D+02  0.910863D+01 -0.215240D+01  0.984942D+01
               216           217           218           219           220 
      1   0.206630D+01  0.149928D+01  0.223047D+01 -0.797439D+01 -0.169914D+01
      2  -0.188366D+02 -0.256992D+01  0.430603D+00  0.663234D+01  0.305242D+01
      3   0.167703D+02  0.107064D+01 -0.266108D+01  0.134205D+01 -0.135328D+01
      4  -0.166970D+02  0.289055D+01  0.652679D+01 -0.222969D+01  0.406421D+01
      5   0.362200D+02 -0.100671D+02 -0.891883D+00  0.138204D+02  0.207571D+01
      6  -0.716143D+01 -0.224815D+01 -0.129980D+01  0.182072D+01 -0.630884D+00
               221           222           223           224           225 
      1   0.432953D+00  0.138631D-01 -0.997768D+01  0.196244D+01 -0.114266D+02
      2  -0.109725D+01 -0.509485D+01  0.947047D+01 -0.445685D+01 -0.253068D+02
      3   0.664294D+00  0.508099D+01  0.507209D+00  0.249441D+01  0.367334D+02
      4  -0.261500D+00 -0.403209D+01 -0.579654D+01 -0.988924D+01  0.368474D+01
      5  -0.488567D+01 -0.118723D+02  0.182486D+02  0.291471D+01 -0.677303D+02
      6   0.507627D+00  0.271249D+01  0.463704D+01  0.790828D+01 -0.233227D+02
               226           227           228           229           230 
      1   0.258420D+02  0.188130D+02  0.141843D+01  0.191717D+02  0.960661D+01
      2  -0.461499D+00  0.603007D+01  0.447841D+00  0.719875D+01  0.270666D+02
      3  -0.253805D+02 -0.248430D+02 -0.186627D+01 -0.263705D+02 -0.366732D+02
      4   0.388693D+02  0.433812D+02 -0.177620D+01  0.460281D+02  0.667989D+02
      5  -0.425831D+01 -0.543747D+01  0.101479D+02 -0.608630D+01 -0.539360D+01
      6  -0.333980D+01 -0.492732D+01  0.562032D+01 -0.505969D+01 -0.873195D+01
               231           232           233           234           235 
      1  -0.266122D+00  0.675514D+01  0.181574D+01  0.313887D+01 -0.424370D+02
      2   0.858516D+00  0.260272D+00  0.488050D+01 -0.149040D+01  0.280774D+02
      3  -0.592394D+00 -0.701541D+01 -0.669623D+01 -0.164847D+01  0.143596D+02
      4  -0.214942D+01  0.815401D+01  0.131406D+02  0.644789D+01 -0.130727D+02
      5   0.786608D+01  0.692827D+01  0.510998D+01 -0.145999D+01  0.115413D+02
      6   0.689593D+01  0.393441D+01  0.445985D+01  0.405471D+00  0.250947D+00
               236           237           238           239           240 
      1   0.144572D+02  0.827956D+00  0.103971D+02 -0.968704D+01  0.327883D+00
      2  -0.147331D+02 -0.155724D+01 -0.794114D+01  0.119176D+02  0.173356D+00
      3   0.275926D+00  0.729280D+00 -0.245593D+01 -0.223056D+01 -0.501239D+00
      4  -0.496963D+01  0.339499D+01  0.388017D+01  0.539523D+01  0.249537D+00
      5   0.813828D+00 -0.680444D+01 -0.191902D+01  0.183052D+01 -0.108065D+00
      6   0.374463D+01 -0.539249D+01  0.123272D+01 -0.166020D+01  0.121889D+01
               241           242           243           244           245 
      1   0.571871D+01 -0.278190D+01 -0.513843D+01  0.260480D+01  0.374676D+01
      2  -0.324786D+01  0.382419D+01 -0.210500D+00 -0.402275D+01 -0.196038D+01
      3  -0.247085D+01 -0.104230D+01  0.534893D+01  0.141795D+01 -0.178637D+01
      4   0.146523D+01  0.379479D+01 -0.119660D+01  0.624015D+01  0.666402D+01
      5  -0.829871D+00 -0.144144D+00 -0.362562D+01 -0.103521D+02 -0.248186D+01
      6  -0.223643D+01  0.134260D+01 -0.735048D+00 -0.413248D+01 -0.535121D+00
               246           247           248           249           250 
      1  -0.575924D+01  0.477785D+01 -0.389563D+00  0.208066D+01 -0.876187D+01
      2   0.444079D+01 -0.217377D+01  0.137201D+01 -0.154045D+01  0.781583D+01
      3   0.131845D+01 -0.260408D+01 -0.982446D+00 -0.540217D+00  0.946040D+00
      4  -0.331258D+01  0.100159D+02  0.653700D+01 -0.690973D+01 -0.623636D+01
      5   0.118373D+02 -0.348822D+01 -0.709038D+01  0.106981D+02  0.159881D+02
      6   0.251754D+01 -0.203602D+01 -0.590252D+01  0.791338D+01  0.402022D+01
               251           252           253           254           255 
      1   0.216297D+01 -0.480432D+01 -0.809989D+02 -0.506791D+01  0.747656D+01
      2   0.663274D+00 -0.958507D+01  0.412346D+02  0.964430D+01 -0.545762D+01
      3  -0.282624D+01  0.143894D+02  0.397643D+02 -0.457639D+01 -0.201893D+01
      4  -0.110622D+02  0.102426D+02 -0.955949D+01  0.242954D+02  0.100111D+02
      5   0.904227D+01 -0.346194D+02  0.113282D+02  0.738935D+01  0.136678D+02
      6   0.757545D+01 -0.125647D+02  0.888909D+01  0.575230D+01  0.472128D+01
               256           257           258           259           260 
      1   0.151655D+02  0.335965D+02  0.258669D+01  0.276531D+02  0.244326D+01
      2  -0.498103D+01 -0.379250D+02 -0.703032D+01 -0.123731D+02 -0.290323D+01
      3  -0.101844D+02  0.432854D+01  0.444364D+01 -0.152800D+02  0.459979D+00
      4   0.261175D+02 -0.292144D+02  0.442096D+01  0.185113D+02  0.132003D+02
      5   0.113846D+02  0.721381D+01  0.165248D+02  0.189431D+02  0.180313D+02
      6   0.597407D+01 -0.434008D+01  0.556152D+01  0.816166D+01  0.763585D+01
               261           262           263           264           265 
      1   0.142467D+02  0.758789D+01 -0.861919D+01  0.284856D+01 -0.782186D+01
      2   0.580135D+01  0.160511D+01 -0.109144D+01 -0.214989D+00 -0.862993D+01
      3  -0.200480D+02 -0.919300D+01  0.971063D+01 -0.263357D+01  0.164518D+02
      4   0.210279D+02 -0.149047D+02  0.184439D+02 -0.422846D+01  0.305968D+02
      5  -0.195502D+02  0.549417D+01 -0.438098D+01  0.419777D+01 -0.846341D+01
      6  -0.350168D+01 -0.347896D+01  0.319800D+01 -0.166170D+01  0.640413D+01
               266           267           268           269           270 
      1  -0.555346D+01  0.636574D+00  0.544649D+00  0.104965D+01 -0.782091D+00
      2   0.358658D+02 -0.630401D+01 -0.224929D+01  0.382340D+01  0.123175D+01
      3  -0.303123D+02  0.566743D+01  0.170464D+01 -0.487306D+01 -0.449663D+00
      4  -0.641508D+02  0.139301D+02  0.196780D+01 -0.375957D+01 -0.416606D+01
      5   0.150355D+02 -0.123613D+02  0.323167D+01 -0.425625D+01  0.511033D+01
      6  -0.151925D+02  0.893905D+01 -0.192661D+01  0.484498D+01 -0.330297D+01
               271           272           273           274           275 
      1   0.555971D+01 -0.315608D+00  0.492060D+01 -0.762928D+01 -0.571174D+01
      2  -0.541232D+01 -0.849867D+00 -0.179105D+01  0.400203D+01  0.316933D+01
      3  -0.147390D+00  0.116548D+01 -0.312955D+01  0.362725D+01  0.254241D+01
      4  -0.145578D+01 -0.336857D+01 -0.496751D+00 -0.294031D+01 -0.273200D+01
      5   0.244025D+01 -0.168903D+01 -0.290966D+00 -0.455412D+01  0.301979D+01
      6  -0.657542D+00 -0.156816D+01 -0.112434D+01 -0.731657D+00 -0.437490D+00
               276           277           278           279           280 
      1  -0.262780D+00  0.116134D+02 -0.155026D+00 -0.112074D+02  0.128228D+03
      2   0.480970D+01 -0.765614D+01  0.442868D+01 -0.156332D+02 -0.610922D+02
      3  -0.454692D+01 -0.395724D+01 -0.427365D+01  0.268406D+02 -0.671359D+02
      4   0.336545D+01  0.538059D+01  0.955244D+01 -0.288185D+01  0.403993D+02
      5  -0.959322D+01  0.109288D+02 -0.201223D+01  0.430445D+02  0.100402D+02
      6   0.947920D+00  0.173372D+01  0.399170D+01  0.125250D+02 -0.522438D+00
               281           282           283           284           285 
      1   0.950794D+01 -0.123282D+01 -0.728727D+01  0.623568D+01 -0.307859D+00
      2  -0.922814D+00 -0.383600D+00  0.598798D+01  0.765661D-01  0.662783D+00
      3  -0.858512D+01  0.161642D+01  0.129929D+01 -0.631225D+01 -0.354923D+00
      4   0.186195D+02  0.981720D+00  0.116942D+02  0.547780D+01 -0.970822D+00
      5   0.154571D+01  0.138022D+02 -0.137073D+01 -0.709169D+00 -0.224216D+01
      6   0.186250D+01  0.380666D+01  0.452611D+00  0.527445D+00  0.236523D+00
               286           287           288           289           290 
      1  -0.169524D+02 -0.164531D+01  0.823910D+01  0.191947D+01  0.123871D+02
      2   0.716490D+01 -0.135910D+00 -0.633725D+01  0.144611D+01 -0.126758D+02
      3   0.978754D+01  0.178122D+01 -0.190185D+01 -0.336559D+01  0.288748D+00
      4  -0.696234D+01 -0.466288D+01  0.117015D+01  0.359051D+01 -0.658080D+01
      5   0.117323D+02 -0.450955D+00 -0.598546D+00 -0.174250D+01 -0.610736D+00
      6   0.298367D+01  0.725393D+00 -0.439482D+00 -0.290120D+00 -0.260687D+01
               291           292           293           294           295 
      1   0.185330D+00  0.117113D+02 -0.301370D+02 -0.286936D+01 -0.410694D+01
      2  -0.213251D+00 -0.337598D+01  0.526568D+02  0.292432D+01  0.935046D+00
      3   0.279204D-01 -0.833536D+01 -0.225198D+02 -0.549597D-01  0.317189D+01
      4  -0.207248D+01  0.134103D+02  0.605201D+02  0.647269D+01 -0.297091D+01
      5  -0.262624D+01  0.333035D+01  0.401670D+01  0.770052D+01  0.432412D+00
      6  -0.228773D+01  0.792601D+00  0.117159D+02  0.813322D+01 -0.579723D-01
               296           297 
      1  -0.762315D+00 -0.510163D+01
      2  -0.152629D+01  0.360261D+01
      3   0.228861D+01  0.149903D+01
      4  -0.428524D+01  0.366453D+01
      5   0.439763D+01  0.221467D+01
      6   0.663057D+01  0.132610D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.757998D+00      0.192664D+01      0.642657D+01
   x          0.339578D+00      0.863121D+00      0.287906D+01
   y         -0.287273D+00     -0.730175D+00     -0.243560D+01
   z         -0.613777D+00     -0.156006D+01     -0.520381D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.158384D+03      0.234701D+02      0.261140D+02
   aniso      0.633642D+02      0.938960D+01      0.104473D+02
   xx         0.198599D+03      0.294294D+02      0.327446D+02
   yx        -0.102312D+01     -0.151610D+00     -0.168689D+00
   yy         0.129438D+03      0.191808D+02      0.213415D+02
   zx        -0.560188D+00     -0.830113D-01     -0.923625D-01
   zy        -0.677632D+01     -0.100415D+01     -0.111726D+01
   zz         0.147115D+03      0.218002D+02      0.242560D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.173283D+03      0.256779D+02      0.285705D+02
   aniso      0.692176D+02      0.102570D+02      0.114124D+02
   xx         0.217446D+03      0.322221D+02      0.358519D+02
   yx        -0.133994D+01     -0.198559D+00     -0.220927D+00
   yy         0.142029D+03      0.210466D+02      0.234175D+02
   zx        -0.473295D+00     -0.701352D-01     -0.780359D-01
   zy        -0.693647D+01     -0.102788D+01     -0.114367D+01
   zz         0.160374D+03      0.237650D+02      0.264421D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          2.28760434          2.59832437          0.22003044
     6          2.32589666          1.02981360          2.33546913
     6          0.15220063          2.78471432         -1.29390047
     6         -2.02627646          1.42109783         -0.73256865
     6         -2.00620346         -0.14115640          1.38928449
     6          0.13274060         -0.32507274          2.89328617
     6          4.66390755          0.76991602          3.93661390
     6          6.50351923         -1.34720087          3.10764077
     6          7.58604220         -0.88772567          0.47032298
     6          5.30942210         -3.97021009          3.28812522
     6         -4.34614380          1.67163823         -2.40637590
     6         -4.74517648         -0.76268360         -3.87141974
     8         -4.10025025         -1.10992945         -6.02315397
     8         -5.90052059         -2.57841186         -2.48352844
     1          3.95052802          3.69437260         -0.25093480
     1          0.17690336          4.01254203         -2.93151482
     1         -3.66687951         -1.23369200          1.86527738
     1          0.09818141         -1.54287017          4.53797168
     1          4.10906574          0.41242613          5.89389610
     1          5.69473309          2.55975554          3.92707375
     1          8.07460579         -1.27704677          4.45407549
     1          6.10900048         -0.97633875         -0.96693703
     1          8.99978794         -2.31685426          0.00633977
     1          8.48995435          0.96325697          0.33693319
     1          4.57495100         -4.33742109          5.18202266
     1          6.69901103         -5.43201851          2.85389788
     1          3.74934185         -4.17095621          1.95347297
     1         -3.92223151          3.07486282         -3.85198237
     6         -6.70977565          2.49348876         -0.94683459
     1         -6.00720084         -4.06751156         -3.54672920
     1         -7.20436234          1.13142946          0.51243645
     1         -8.32499589          2.68994272         -2.21354289
     1         -6.36078557          4.31319840         -0.04633557

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.757998D+00      0.192664D+01      0.642657D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.757998D+00      0.192664D+01      0.642657D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.158384D+03      0.234701D+02      0.261140D+02
   aniso      0.633642D+02      0.938960D+01      0.104473D+02
   xx         0.186471D+03      0.276322D+02      0.307450D+02
   yx         0.467470D+00      0.692719D-01      0.770754D-01
   yy         0.137178D+03      0.203276D+02      0.226175D+02
   zx         0.233931D+02      0.346650D+01      0.385700D+01
   zy        -0.121619D+02     -0.180221D+01     -0.200522D+01
   zz         0.151504D+03      0.224506D+02      0.249796D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.173283D+03      0.256779D+02      0.285705D+02
   aniso      0.692176D+02      0.102570D+02      0.114124D+02
   xx         0.204144D+03      0.302510D+02      0.336588D+02
   yx         0.407140D+00      0.603320D-01      0.671284D-01
   yy         0.149971D+03      0.222233D+02      0.247268D+02
   zx         0.257302D+02      0.381282D+01      0.424233D+01
   zy        -0.125852D+02     -0.186494D+01     -0.207503D+01
   zz         0.165734D+03      0.245593D+02      0.273259D+02

 ----------------------------------------------------------------------

 Test job not archived.
 1\1\GINC-CPN-U28-23\Freq\RLC-PBEPBE\Gen\C13H18O2\PIERPA\27-Sep-2021\0\
 \#P LC-PBEPBE/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=200,Tight)
  Polar=ROA Guess=Read Geom=Check CPHF=RdFreq IOp(1/33=1,3/107=02300000
 00,3/108=0230000000,3/119=1000000000,3/120=1000000000,3/130=-1,3/131=-
 1)\\ROA calculations.\\0,1\C,0.999465,-1.196404,0.969136\C,1.596854,-0
 .854615,-0.242805\C,-0.373383,-1.089601,1.14899\C,-1.197567,-0.646006,
 0.11854\C,-0.60754,-0.309456,-1.099214\C,0.764497,-0.415297,-1.273478\
 C,3.089352,-0.933039,-0.42674\C,3.863458,0.355956,-0.060011\C,3.724742
 ,0.714773,1.418841\C,3.474654,1.53835,-0.94648\C,-2.69829,-0.54755,0.3
 36035\C,-3.112492,0.912406,0.380989\O,-3.301927,1.54513,1.386242\O,-3.
 236904,1.461286,-0.851756\H,1.615792,-1.553364,1.784982\H,-0.810943,-1
 .358118,2.102796\H,-1.221792,0.044896,-1.915977\H,1.198598,-0.153574,-
 2.230639\H,3.31006,-1.178961,-1.468652\H,3.483227,-1.75192,0.18068\H,4
 .918355,0.129746,-0.250425\H,2.693477,0.97286,1.666766\H,4.350853,1.57
 4253,1.666193\H,4.026509,-0.115358,2.061505\H,3.596304,1.300958,-2.005
 766\H,4.098076,2.406584,-0.724159\H,2.434212,1.826365,-0.784696\H,-2.9
 11214,-0.920205,1.337383\C,-3.505151,-1.357997,-0.684885\H,-3.465219,2
 .394674,-0.720115\H,-3.324283,-1.011646,-1.700587\H,-4.575148,-1.27985
 3,-0.485627\H,-3.217816,-2.407791,-0.623061\\Version=ES64L-G16RevA.03\
 State=1-A\HF=-657.021968\RMSD=3.873e-09\RMSF=1.294e-05\ZeroPoint=0.284
 6317\Thermal=0.3001377\Dipole=0.3395778,-0.2872728,-0.6137765\DipoleDe
 riv=-0.1169159,-0.0401297,0.0652972,-0.0456209,-0.088778,-0.0417428,0.
 1145143,-0.0536164,0.0270118,0.3048065,0.0515361,-0.0195041,0.0171309,
 -0.1083717,-0.0175288,-0.0401937,-0.0188526,-0.0665491,-0.0703314,0.01
 70497,-0.0491132,0.0102941,-0.0927502,-0.0461573,-0.0196545,-0.0701305
 ,0.0637504,0.2861031,-0.126781,-0.0125423,-0.0193181,-0.1387129,-0.018
 403,-0.0468732,0.0050898,-0.067066,-0.0807332,-0.0103113,0.0399794,-0.
 0292296,-0.0917943,-0.0517918,0.0624868,-0.0412567,-0.0026506,-0.11978
 72,-0.0050375,-0.0485981,0.0147504,-0.0927252,-0.0625828,-0.0890276,-0
 .0472296,0.0666868,0.073163,-0.0239512,-0.0034046,-0.1796134,0.088714,
 0.0079159,-0.0599041,-0.0053179,0.1157292,0.1425553,0.0123728,0.006600
 5,0.1683729,0.1574701,-0.0156499,0.0610414,-0.0028901,0.155541,0.07080
 26,-0.0058161,0.0080797,-0.0546281,0.0505422,-0.0359725,0.017935,-0.03
 28348,-0.0228906,0.0617738,0.0128918,-0.0166091,-0.018205,-0.0122637,0
 .0475616,-0.055207,0.038368,0.04968,0.0055895,0.1557592,0.0335995,0.13
 01325,-0.0344859,-0.0195826,-0.0629555,-0.0150343,0.0964056,0.3563578,
 -0.3499377,-0.0789874,-0.7198194,1.191646,0.1047399,-0.0889854,0.00333
 25,1.560304,-0.4100657,0.1495028,0.1411528,0.3536623,-0.7911713,-0.385
 3155,0.1849572,-0.1753798,-0.945654,-0.4139287,0.0931571,-0.1085562,0.
 207442,-0.5615934,0.3823935,-0.1357887,0.2622892,-0.9704169,-0.0114835
 ,0.0553421,-0.0754532,0.051568,0.0986885,0.0473247,-0.0764135,0.044923
 1,-0.0105919,0.0208469,-0.0238618,0.0759965,-0.0080195,0.097866,0.0421
 425,0.0725245,0.0494043,-0.0363259,0.0324723,0.0184279,-0.064671,0.039
 4355,0.1019447,0.0446931,-0.0774464,0.0425231,0.0081291,0.0209217,-0.0
 002873,0.0784322,-0.0039364,0.097976,0.0483749,0.0851233,0.0489711,-0.
 045965,-0.0343767,-0.0084968,-0.0009168,0.0030193,0.0390792,-0.0351635
 ,0.0680619,-0.0775039,-0.1390668,-0.0494892,0.0186086,-0.0060713,0.061
 1027,-0.0803532,0.0691553,-0.0535221,0.1164598,-0.0050046,-0.2371939,0
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 000318,0.00000436,-0.00000584,0.00000152,0.00000136,0.00000592,0.00000
 119,0.00000180,0.00000201\\\@


 THE LENGTH OF A MEETING IS PROPORTIONAL TO THE
 SQUARE OF THE PARTICIPANTS.
 Job cpu time:       0 days 19 hours 38 minutes 12.0 seconds.
 Elapsed time:       0 days  2 hours 27 minutes 44.6 seconds.
 File lengths (MBytes):  RWF=    706 Int=      0 D2E=      0 Chk=     24 Scr=      2
 Normal termination of Gaussian 16 at Mon Sep 27 21:12:51 2021.
